diff --git a/fbcv.obo b/fbcv.obo index 9c5b059..ed99632 100644 --- a/fbcv.obo +++ b/fbcv.obo @@ -1,6 +1,6 @@ format-version: 1.2 -data-version: fbcv/releases/2024-02-23 -date: 23:02:2024 09:19 +data-version: fbcv/releases/2024-04-25 +date: 25:04:2024 15:03 subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" @@ -31,14 +31,11 @@ subsetdef: ro-eco "" subsetdef: RO:0002259 "" subsetdef: value_slim "Value slim" synonymtypedef: BRAIN_NAME_ABV "BrainName official abbreviation" -synonymtypedef: BRAND_NAME "" synonymtypedef: BRAND_NAME "BRAND NAME" synonymtypedef: FORMULA "FORMULA" synonymtypedef: InChI "InChI" synonymtypedef: InChIKey "InChIKey" -synonymtypedef: INN "" synonymtypedef: INN "INN" -synonymtypedef: IUPAC_NAME "" synonymtypedef: IUPAC_NAME "IUPAC NAME" synonymtypedef: SMILES "SMILES" synonymtypedef: systematic_synonym "Systematic synonym" EXACT @@ -53,7 +50,7 @@ property_value: http://purl.org/dc/elements/1.1/description "A miscellaneous ont property_value: http://purl.org/dc/elements/1.1/title "FlyBase Controlled Vocabulary (FBcv)" xsd:string property_value: http://purl.org/dc/terms/license "https://creativecommons.org/licenses/by/4.0/" xsd:string property_value: IAO:0000700 FBcv:0000000 -property_value: owl:versionInfo "2024-02-23" xsd:string +property_value: owl:versionInfo "2024-04-25" xsd:string [Term] id: BFO:0000002 @@ -75,7 +72,6 @@ def: "b is an independent continuant = Def. b is a continuant which is such that comment: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant -disjoint_from: BFO:0000031 ! generically dependent continuant relationship: BFO:0000050 BFO:0000004 {all_only="true"} ! part of independent continuant [Term] @@ -111,7 +107,6 @@ name: specifically dependent continuant def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] comment: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. is_a: BFO:0000002 ! continuant -disjoint_from: BFO:0000031 ! generically dependent continuant relationship: BFO:0000050 BFO:0000020 {all_only="true"} ! part of specifically dependent continuant [Term] @@ -120,14 +115,6 @@ name: role def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: BFO:0000017 ! realizable entity -[Term] -id: BFO:0000031 -name: generically dependent continuant -def: "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])" [] -comment: A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. -is_a: BFO:0000002 ! continuant -relationship: BFO:0000050 BFO:0000031 {all_only="true"} ! part of generically dependent continuant - [Term] id: BFO:0000034 name: function @@ -152,8 +139,6 @@ synonym: "2-naphthalenol" RELATED [NIST_Chemistry_WebBook] synonym: "2-Naphthol" EXACT [KEGG_COMPOUND] synonym: "2-naphthol" EXACT [UniProt] synonym: "2-naphtol" RELATED [ChemIDplus] -synonym: "Antioxygene BN" RELATED BRAND_NAME [HMDB] -synonym: "Azogen Developer A" RELATED BRAND_NAME [HMDB] synonym: "beta-hydroxynaphthalene" RELATED [NIST_Chemistry_WebBook] synonym: "beta-hydroxynaphthalene" RELATED [ChemIDplus] synonym: "beta-Naftol" RELATED [ChemIDplus] @@ -163,39 +148,12 @@ synonym: "beta-naphthol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-naphthyl alcohol" RELATED [ChemIDplus] synonym: "beta-naphthyl hydroxide" RELATED [ChemIDplus] synonym: "beta-Naphtol" RELATED [ChemIDplus] -synonym: "C.I. Azoic Coupling Component 1" RELATED BRAND_NAME [ChemIDplus] -synonym: "C.I. Developer 5" RELATED BRAND_NAME [ChemIDplus] -synonym: "Developer A" RELATED BRAND_NAME [ChemIDplus] -synonym: "Developer AMS" RELATED BRAND_NAME [ChemIDplus] -synonym: "Developer BN" RELATED BRAND_NAME [ChemIDplus] synonym: "Isonaphthol" RELATED [ChemIDplus] -synonym: "naphthalen-2-ol" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:742134 {source="Beilstein"} -xref: CAS:135-19-3 {source="NIST Chemistry WebBook"} -xref: CAS:135-19-3 {source="ChemIDplus"} -xref: CAS:135-19-3 {source="KEGG COMPOUND"} -xref: Drug_Central:3370 {source="DrugCentral"} xref: FooDB:FDB000877 -xref: Gmelin:27395 {source="Gmelin"} xref: HMDB:HMDB0012322 xref: KEGG:C11713 xref: MetaCyc:CPD-8131 xref: PDBeChem:03V -xref: PMID:13386410 {source="Europe PMC"} -xref: PMID:14751800 {source="Europe PMC"} -xref: PMID:18515997 {source="Europe PMC"} -xref: PMID:18856458 {source="Europe PMC"} -xref: PMID:20260560 {source="Europe PMC"} -xref: PMID:22069470 {source="Europe PMC"} -xref: PMID:22740618 {source="Europe PMC"} -xref: PMID:23344974 {source="Europe PMC"} -xref: PMID:29987264 {source="Europe PMC"} -xref: PMID:30572877 {source="Europe PMC"} -xref: PMID:30828382 {source="Europe PMC"} -xref: PMID:32206945 {source="Europe PMC"} -xref: PMID:33862438 {source="Europe PMC"} -xref: PMID:34033865 {source="Europe PMC"} -xref: Reaxys:742134 {source="Reaxys"} xref: Wikipedia:2-Naphthol is_a: CHEBI:35682 ! naphthol relationship: RO:0000087 CHEBI:35444 ! has role antinematodal drug @@ -204,13 +162,6 @@ relationship: RO:0000087 CHEBI:50902 ! has role genotoxin relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite relationship: RO:0000087 CHEBI:84087 ! has role human urinary metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWAZRIHNYRIHIV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "144.173" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.05751" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC2=CC=CC=C2C=C1" xsd:string [Term] id: CHEBI:10545 @@ -225,17 +176,12 @@ synonym: "e" RELATED [IUPAC] synonym: "e(-)" RELATED [UniProt] synonym: "e-" RELATED [KEGG_COMPOUND] synonym: "electron" EXACT [KEGG_COMPOUND] -synonym: "electron" EXACT IUPAC_NAME [IUPAC] synonym: "electron" EXACT [ChEBI] synonym: "Elektron" RELATED [ChEBI] synonym: "negatron" RELATED [IUPAC] xref: KEGG:C05359 -xref: PMID:21614077 {source="Europe PMC"} xref: Wikipedia:Electron is_a: CHEBI:36338 ! lepton -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "0.000548579903" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string [Term] id: CHEBI:131927 @@ -257,11 +203,6 @@ synonym: "p-benzoquinones" RELATED [ChEBI] synonym: "para-benzoquinones" RELATED [ChEBI] is_a: CHEBI:22729 ! benzoquinones is_a: CHEBI:25830 ! p-quinones -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6O2R4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "104.063" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C(*)=C(*)C(=O)C(*)=C1*" xsd:string [Term] id: CHEBI:134179 @@ -287,11 +228,6 @@ synonym: "alkanesulfonates" RELATED [ChEBI] synonym: "an alkanesulfonate" RELATED [UniProt] xref: MetaCyc:Alkanesulfonates is_a: CHEBI:33554 ! organosulfonate oxoanion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "94.091" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.97246" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(S([O-])(=O)=O)*" xsd:string [Term] id: CHEBI:13643 @@ -299,7 +235,6 @@ name: glycol namespace: chebi_ontology def: "A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent." [] subset: 3_STAR -synonym: "glycols" EXACT IUPAC_NAME [IUPAC] synonym: "Glykol" RELATED [ChEBI] is_a: CHEBI:23824 ! diol @@ -312,7 +247,6 @@ subset: 3_STAR synonym: "pro-agents" RELATED [ChEBI] synonym: "proagent" RELATED [ChEBI] synonym: "proagents" RELATED [ChEBI] -xref: PMID:26449612 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] @@ -337,11 +271,6 @@ synonym: "tertiary amine(1+)" RELATED [ChEBI] synonym: "tertiary ammonium ions" RELATED [ChEBI] is_a: CHEBI:25697 ! organic cation relationship: is_conjugate_acid_of CHEBI:50996 ! tertiary amino compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HNR3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.015" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01090" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH+](*)(*)*" xsd:string [Term] id: CHEBI:138015 @@ -358,9 +287,6 @@ synonym: "endocrine-disrupting chemical" RELATED [ChEBI] synonym: "endocrine-disrupting chemicals" RELATED [ChEBI] synonym: "hormonally active agent" RELATED [ChEBI] synonym: "hormonally active agents" RELATED [ChEBI] -xref: PMID:27929035 {source="Europe PMC"} -xref: PMID:28356401 {source="Europe PMC"} -xref: PMID:28526231 {source="Europe PMC"} xref: Wikipedia:Endocrine_disruptor is_a: CHEBI:51061 ! hormone receptor modulator @@ -421,22 +347,11 @@ namespace: chebi_ontology subset: 3_STAR synonym: "Carbamat" RELATED [ChEBI] synonym: "carbamate" EXACT [UniProt] -synonym: "carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "carbamate ion" RELATED [ChemIDplus] synonym: "carbamic acid, ion(1-)" RELATED [ChemIDplus] synonym: "Karbamat" RELATED [ChEBI] -xref: Beilstein:3903503 {source="Beilstein"} -xref: CAS:302-11-4 {source="ChemIDplus"} -xref: Gmelin:239604 {source="Gmelin"} is_a: CHEBI:37022 ! amino-acid anion relationship: is_conjugate_base_of CHEBI:28616 ! carbamic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.03212" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.00910" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([O-])=O" xsd:string [Term] id: CHEBI:139492 @@ -458,15 +373,9 @@ subset: 3_STAR synonym: "a phenolic donor" RELATED [UniProt] synonym: "phenolic donors" RELATED [ChEBI] xref: MetaCyc:Phenolic-Donors -xref: PMID:16098794 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33853 ! phenols relationship: RO:0000087 CHEBI:15022 ! has role electron donor -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5OR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "93.104" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.03404" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC=C([*])C=C1" xsd:string [Term] id: CHEBI:140332 @@ -474,15 +383,8 @@ name: 4'-methoxyflavanones namespace: chebi_ontology def: "Any methoxyflavanone having a methoxy substituent located at position 4'." [] subset: 3_STAR -synonym: "2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "a 4'-methoxyflavanone" RELATED [UniProt] -xref: MetaCyc:4-Methoxyflavanones {source="SUBMITTER"} is_a: CHEBI:25240 ! methoxyflavanone -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H5O3R9" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "245.210" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "245.02387" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C2=C1OC(C(C2=O)*)C3=C(C(=C(C(=C3*)*)OC)*)*)*)*)*)*" xsd:string [Term] id: CHEBI:14321 @@ -494,20 +396,11 @@ synonym: "2-ammoniopentanedioate" RELATED [IUPAC] synonym: "glutamate" RELATED [UniProt] synonym: "glutamate(1-)" EXACT [JCBN] synonym: "glutamic acid monoanion" RELATED [JCBN] -synonym: "hydrogen glutamate" EXACT IUPAC_NAME [IUPAC] -xref: Gmelin:327908 {source="Gmelin"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_acid_of CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:18237 ! glutamic acid relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:149552 @@ -525,7 +418,6 @@ namespace: chebi_ontology def: "A molecular entity that can transfer an electron to another molecular entity." [] subset: 3_STAR synonym: "donneur d'electron" RELATED [IUPAC] -synonym: "electron donor" EXACT IUPAC_NAME [IUPAC] synonym: "Elektronendonator" RELATED [ChEBI] is_a: CHEBI:17891 ! donor @@ -541,19 +433,12 @@ synonym: "xanthine" EXACT [ChEBI] synonym: "xanthines" RELATED [ChEBI] xref: ECMDB:ECMDB00292 xref: KNApSAcK:C00019660 -xref: PMID:1557408 {source="Europe PMC"} -xref: PMID:24629268 {source="Europe PMC"} -xref: PMID:9007687 {source="Europe PMC"} xref: YMDB:YMDB00263 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25810 ! oxopurine is_a: CHEBI:26386 ! purine nucleobase relationship: has_functional_parent CHEBI:16235 ! guanine relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "152.111" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.03343" xsd:string [Term] id: CHEBI:15339 @@ -590,21 +475,12 @@ synonym: "cisteina" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "Cystein" RELATED [ChEBI] synonym: "Cysteine" EXACT [KEGG_COMPOUND] -synonym: "cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine" EXACT [ChEBI] synonym: "Hcys" RELATED [IUPAC] synonym: "Zystein" RELATED [ChEBI] -xref: Beilstein:1721406 {source="Beilstein"} -xref: CAS:3374-22-9 {source="ChemIDplus"} -xref: CAS:3374-22-9 {source="NIST Chemistry WebBook"} -xref: CAS:3374-22-9 {source="KEGG COMPOUND"} -xref: Gmelin:2933 {source="Gmelin"} xref: KEGG:C00736 xref: KNApSAcK:C00001351 xref: KNApSAcK:C00007323 -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:25181601 {source="Europe PMC"} -xref: Reaxys:1721406 {source="Reaxys"} xref: Wikipedia:Cysteine is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:26834 ! sulfur-containing amino acid @@ -614,13 +490,6 @@ relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:35237 ! cysteine zwitterion relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C(O)=O" xsd:string [Term] id: CHEBI:15369 @@ -633,8 +502,6 @@ def: "A large group of antibiotics isolated from various species of Streptomyces subset: 3_STAR synonym: "Actinomycin" EXACT [KEGG_COMPOUND] synonym: "actinomycins" RELATED [ChEBI] -xref: CAS:1402-38-6 {source="KEGG COMPOUND"} -xref: CAS:1402-38-6 {source="ChemIDplus"} xref: KEGG:C01775 is_a: CHEBI:23239 ! chromopeptide @@ -649,21 +516,12 @@ def: "The general name for the hydrogen nucleus, to be used without regard to th subset: 3_STAR synonym: "H(+)" RELATED [UniProt] synonym: "H+" RELATED [KEGG_COMPOUND] -synonym: "hydrogen(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "Hydron" EXACT [KEGG_COMPOUND] -synonym: "hydron" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00080 is_a: CHEBI:25414 ! monoatomic monocation is_a: CHEBI:33251 ! monoatomic hydrogen is_a: CHEBI:33252 ! atomic nucleus is_a: CHEBI:60242 ! monovalent inorganic cation -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GPRLSGONYQIRFK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "1.00794" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.008" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H+]" xsd:string [Term] id: CHEBI:15705 @@ -678,18 +536,12 @@ def: "Any alpha-amino acid having L-configuration at the alpha-carbon." [] subset: 3_STAR synonym: "L-2-Amino acid" RELATED [KEGG_COMPOUND] synonym: "L-alpha-amino acid" EXACT [IUPAC] -synonym: "L-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "L-alpha-amino acids" RELATED [ChEBI] synonym: "L-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00151 is_a: CHEBI:33704 ! alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59814 ! L-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59869 ! L-alpha-amino acid zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:15740 @@ -700,7 +552,6 @@ alt_id: CHEBI:24081 def: "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." [] subset: 3_STAR synonym: "aminate" RELATED [ChEBI] -synonym: "formate" EXACT IUPAC_NAME [IUPAC] synonym: "formate" EXACT [UniProt] synonym: "formiate" RELATED [ChEBI] synonym: "formic acid, ion(1-)" RELATED [ChemIDplus] @@ -708,30 +559,15 @@ synonym: "formylate" RELATED [ChEBI] synonym: "HCO2 anion" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylate" RELATED [ChEBI] synonym: "methanoate" RELATED [ChEBI] -xref: Beilstein:1901205 {source="Beilstein"} -xref: CAS:71-47-6 {source="ChemIDplus"} -xref: CAS:71-47-6 {source="NIST Chemistry WebBook"} -xref: Gmelin:1006 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: MetaCyc:FORMATE -xref: PMID:17190852 {source="Europe PMC"} -xref: PMID:3946945 {source="Europe PMC"} -xref: Reaxys:1901205 {source="Reaxys"} -xref: UM-BBD_compID:c0106 {source="UM-BBD"} xref: Wikipedia:Formate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:30751 ! formic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99820" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([O-])=O" xsd:string [Term] id: CHEBI:15778 @@ -746,11 +582,6 @@ is_a: CHEBI:51569 ! N-acyl-amino acid is_a: CHEBI:83812 ! non-proteinogenic amino acid derivative relationship: is_conjugate_acid_of CHEBI:59876 ! N-acyl-D-alpha-amino acid anion relationship: is_enantiomer_of CHEBI:21644 ! N-acyl-L-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "101.06080" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:15966 @@ -760,40 +591,25 @@ alt_id: CHEBI:21023 alt_id: CHEBI:4183 def: "An optically active form of glutamic acid having D-configuration." [] subset: 3_STAR -synonym: "(2R)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "D-2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutamic acid" EXACT [KEGG_COMPOUND] -synonym: "D-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "D-Glutaminsaeure" RELATED [ChEBI] synonym: "DGL" RELATED [PDBeChem] synonym: "glutamic acid D-form" RELATED [ChemIDplus] -xref: Beilstein:1723800 {source="Beilstein"} -xref: CAS:6893-26-1 {source="NIST Chemistry WebBook"} -xref: CAS:6893-26-1 {source="ChemIDplus"} -xref: CAS:6893-26-1 {source="KEGG COMPOUND"} xref: DrugBank:DB02517 -xref: Gmelin:201189 {source="Gmelin"} xref: HMDB:HMDB0003339 xref: KEGG:C00217 xref: KNApSAcK:C00019577 xref: MetaCyc:D-GLT xref: PDBeChem:DGL -xref: Reaxys:1723800 {source="Reaxys"} is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:18237 ! glutamic acid relationship: is_conjugate_acid_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:16015 ! L-glutamic acid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:15986 @@ -810,8 +626,6 @@ xref: KEGG:C00419 is_a: CHEBI:33695 ! information biomacromolecule is_a: CHEBI:61120 ! nucleobase-containing molecular entity relationship: BFO:0000051 CHEBI:50319 ! has part nucleotide residue -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8O6PR)n.C10H17O10PR2" xsd:string [Term] id: CHEBI:16015 @@ -822,30 +636,18 @@ alt_id: CHEBI:42825 alt_id: CHEBI:6224 def: "An optically active form of glutamic acid having L-configuration." [] subset: 3_STAR -synonym: "(2S)-2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-aminopentanedioic acid" RELATED [ChEBI] synonym: "(S)-glutamic acid" RELATED [NIST_Chemistry_WebBook] -synonym: "acide glutamique" RELATED INN [ChEBI] -synonym: "acido glutamico" RELATED INN [ChEBI] -synonym: "acidum glutamicum" RELATED INN [ChEBI] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "GLUTAMIC ACID" RELATED [PDBeChem] -synonym: "glutamic acid" RELATED INN [ChEBI] synonym: "L-Glu" RELATED [ChEBI] synonym: "L-Glutamic acid" EXACT [KEGG_COMPOUND] -synonym: "L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "L-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "L-Glutaminsaeure" RELATED [ChEBI] -xref: Beilstein:1723801 {source="Beilstein"} xref: BPDB:2297 -xref: CAS:56-86-0 {source="NIST Chemistry WebBook"} -xref: CAS:56-86-0 {source="ChemIDplus"} -xref: CAS:56-86-0 {source="KEGG COMPOUND"} -xref: Drug_Central:1310 {source="DrugCentral"} xref: DrugBank:DB00142 -xref: Gmelin:3502 {source="Gmelin"} xref: HMDB:HMDB0000148 xref: KEGG:C00025 xref: KEGG:D00007 @@ -853,14 +655,6 @@ xref: KNApSAcK:C00001358 xref: LINCS:LSM-36375 xref: MetaCyc:GLT xref: PDBeChem:GLU_LFOH -xref: PMID:15739367 {source="Europe PMC"} -xref: PMID:15930465 {source="Europe PMC"} -xref: PMID:16719819 {source="Europe PMC"} -xref: PMID:16892196 {source="Europe PMC"} -xref: PMID:19581495 {source="Europe PMC"} -xref: PMID:22219301 {source="Europe PMC"} -xref: PMID:22735334 {source="Europe PMC"} -xref: Reaxys:1723801 {source="Reaxys"} xref: Wikipedia:L-Glutamic_Acid is_a: CHEBI:18237 ! glutamic acid is_a: CHEBI:24318 ! glutamine family amino acid @@ -872,13 +666,6 @@ relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:50733 ! has role nutraceutical relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:16042 @@ -891,7 +678,6 @@ subset: 3_STAR synonym: "a halide anion" RELATED [UniProt] synonym: "Halide" RELATED [KEGG_COMPOUND] synonym: "halide anions" RELATED [ChEBI] -synonym: "halide ions" EXACT IUPAC_NAME [IUPAC] synonym: "halide(1-)" RELATED [ChEBI] synonym: "halides" RELATED [ChEBI] synonym: "halogen anion" RELATED [ChEBI] @@ -899,11 +685,6 @@ synonym: "HX" RELATED [KEGG_COMPOUND] xref: KEGG:C00462 is_a: CHEBI:33429 ! monoatomic monoanion is_a: CHEBI:79389 ! monovalent inorganic anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "X" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "0.0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:16134 @@ -923,22 +704,14 @@ subset: 3_STAR synonym: "[NH3]" RELATED [MolBase] synonym: "AMMONIA" EXACT [PDBeChem] synonym: "Ammonia" EXACT [KEGG_COMPOUND] -synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] synonym: "ammoniac" RELATED [ChEBI] synonym: "Ammoniak" RELATED [ChemIDplus] synonym: "amoniaco" RELATED [ChEBI] -synonym: "azane" EXACT IUPAC_NAME [IUPAC] -synonym: "NH3" RELATED [KEGG_COMPOUND] synonym: "NH3" RELATED [UniProt] +synonym: "NH3" RELATED [KEGG_COMPOUND] synonym: "NH3" RELATED [IUPAC] synonym: "R-717" RELATED [ChEBI] synonym: "spirit of hartshorn" RELATED [ChemIDplus] -xref: Beilstein:3587154 {source="Beilstein"} -xref: CAS:7664-41-7 {source="ChemIDplus"} -xref: CAS:7664-41-7 {source="NIST Chemistry WebBook"} -xref: CAS:7664-41-7 {source="KEGG COMPOUND"} -xref: Drug_Central:4625 {source="DrugCentral"} -xref: Gmelin:79 {source="Gmelin"} xref: HMDB:HMDB0000051 xref: KEGG:C00014 xref: KEGG:D02916 @@ -946,42 +719,6 @@ xref: KNApSAcK:C00007267 xref: MetaCyc:AMMONIA xref: MolBase:930 xref: PDBeChem:NH3 -xref: PMID:110589 {source="Europe PMC"} -xref: PMID:11139349 {source="Europe PMC"} -xref: PMID:11540049 {source="Europe PMC"} -xref: PMID:11746427 {source="Europe PMC"} -xref: PMID:11783653 {source="Europe PMC"} -xref: PMID:13753780 {source="Europe PMC"} -xref: PMID:14663195 {source="Europe PMC"} -xref: PMID:15092448 {source="Europe PMC"} -xref: PMID:15094021 {source="Europe PMC"} -xref: PMID:15554424 {source="Europe PMC"} -xref: PMID:15969015 {source="Europe PMC"} -xref: PMID:16008360 {source="Europe PMC"} -xref: PMID:16050680 {source="Europe PMC"} -xref: PMID:16348008 {source="Europe PMC"} -xref: PMID:16349403 {source="Europe PMC"} -xref: PMID:16614889 {source="Europe PMC"} -xref: PMID:16664306 {source="Europe PMC"} -xref: PMID:16842901 {source="Europe PMC"} -xref: PMID:17025297 {source="Europe PMC"} -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:17569513 {source="Europe PMC"} -xref: PMID:17737668 {source="Europe PMC"} -xref: PMID:18670398 {source="Europe PMC"} -xref: PMID:22002069 {source="Europe PMC"} -xref: PMID:22081570 {source="Europe PMC"} -xref: PMID:22088435 {source="Europe PMC"} -xref: PMID:22100291 {source="Europe PMC"} -xref: PMID:22130175 {source="Europe PMC"} -xref: PMID:22150211 {source="Europe PMC"} -xref: PMID:22240068 {source="Europe PMC"} -xref: PMID:22290316 {source="Europe PMC"} -xref: PMID:22342082 {source="Europe PMC"} -xref: PMID:22385337 {source="Europe PMC"} -xref: PMID:22443779 {source="Europe PMC"} -xref: PMID:22560242 {source="Europe PMC"} -xref: Reaxys:3587154 {source="Reaxys"} xref: Wikipedia:Ammonia is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity @@ -994,13 +731,6 @@ relationship: RO:0000087 CHEBI:59740 ! has role nucleophilic reagent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77941 ! has role EC 3.5.1.4 (amidase) inhibitor relationship: RO:0000087 CHEBI:78433 ! has role refrigerant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "17.03056" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[H]" xsd:string [Term] id: CHEBI:16189 @@ -1015,7 +745,6 @@ synonym: "[SO4](2-)" RELATED [IUPAC] synonym: "SO4(2-)" RELATED [IUPAC] synonym: "Sulfate" EXACT [KEGG_COMPOUND] synonym: "sulfate" EXACT [UniProt] -synonym: "sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfate anion(2-)" RELATED [HMDB] synonym: "Sulfate dianion" RELATED [HMDB] synonym: "SULFATE ION" RELATED [PDBeChem] @@ -1023,50 +752,11 @@ synonym: "Sulfate(2-)" RELATED [HMDB] synonym: "Sulfuric acid ion(2-)" RELATED [HMDB] synonym: "sulphate" RELATED [ChEBI] synonym: "sulphate ion" RELATED [ChEBI] -synonym: "tetraoxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:3648446 {source="Beilstein"} -xref: CAS:14808-79-8 {source="ChemIDplus"} -xref: CAS:14808-79-8 {source="NIST Chemistry WebBook"} -xref: Gmelin:2120 {source="Gmelin"} xref: HMDB:HMDB0001448 xref: KEGG:C00059 xref: KEGG:D05963 xref: MetaCyc:SULFATE xref: PDBeChem:SO4 -xref: PMID:11200094 {source="Europe PMC"} -xref: PMID:11452993 {source="Europe PMC"} -xref: PMID:11581495 {source="Europe PMC"} -xref: PMID:11798107 {source="Europe PMC"} -xref: PMID:12166931 {source="Europe PMC"} -xref: PMID:12668033 {source="Europe PMC"} -xref: PMID:14597181 {source="Europe PMC"} -xref: PMID:15093386 {source="Europe PMC"} -xref: PMID:15984785 {source="Europe PMC"} -xref: PMID:16186560 {source="Europe PMC"} -xref: PMID:16345535 {source="Europe PMC"} -xref: PMID:16347366 {source="Europe PMC"} -xref: PMID:16348007 {source="Europe PMC"} -xref: PMID:16483812 {source="Europe PMC"} -xref: PMID:16534979 {source="Europe PMC"} -xref: PMID:16656509 {source="Europe PMC"} -xref: PMID:16742508 {source="Europe PMC"} -xref: PMID:16742518 {source="Europe PMC"} -xref: PMID:17120760 {source="Europe PMC"} -xref: PMID:17420092 {source="Europe PMC"} -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:17709180 {source="Europe PMC"} -xref: PMID:18398178 {source="Europe PMC"} -xref: PMID:18815700 {source="Europe PMC"} -xref: PMID:18846414 {source="Europe PMC"} -xref: PMID:19047345 {source="Europe PMC"} -xref: PMID:19244483 {source="Europe PMC"} -xref: PMID:19544990 {source="Europe PMC"} -xref: PMID:19628332 {source="Europe PMC"} -xref: PMID:19812358 {source="Europe PMC"} -xref: PMID:30398859 {source="Europe PMC"} -xref: Reaxys:3648446 {source="Reaxys"} xref: Wikipedia:Sulfate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33482 ! sulfur oxoanion @@ -1076,13 +766,6 @@ relationship: is_conjugate_base_of CHEBI:45696 ! hydrogensulfate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06360" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95283" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:16199 @@ -1096,7 +779,6 @@ def: "A carbonyl group with two C-bound amine groups. The commercially available subset: 3_STAR synonym: "1728" RELATED [PPDB] synonym: "Carbamide" RELATED [KEGG_COMPOUND] -synonym: "carbamide" RELATED INN [ChEBI] synonym: "carbonyldiamide" RELATED [NIST_Chemistry_WebBook] synonym: "E927b" RELATED [ChEBI] synonym: "H2NC(O)NH2" RELATED [ChEBI] @@ -1106,27 +788,16 @@ synonym: "ur" RELATED [IUPAC] synonym: "UREA" EXACT [PDBeChem] synonym: "Urea" EXACT [KEGG_COMPOUND] synonym: "urea" EXACT [UniProt] -synonym: "urea" EXACT IUPAC_NAME [IUPAC] synonym: "uree" RELATED [ChEBI] -xref: Beilstein:635724 {source="Beilstein"} -xref: CAS:57-13-6 {source="ChemIDplus"} -xref: CAS:57-13-6 {source="NIST Chemistry WebBook"} -xref: CAS:57-13-6 {source="KEGG COMPOUND"} -xref: Drug_Central:4264 {source="DrugCentral"} xref: DrugBank:DB03904 xref: ECMDB:ECMDB04172 -xref: Gmelin:1378 {source="Gmelin"} xref: HMDB:HMDB0000294 xref: KEGG:C00086 xref: KEGG:D00023 xref: KNApSAcK:C00007314 xref: MetaCyc:UREA xref: PDBeChem:URE -xref: PMID:18037357 {source="Europe PMC"} -xref: PMID:22770225 {source="Europe PMC"} xref: PPDB:1728 -xref: Reaxys:635724 {source="Reaxys"} -xref: UM-BBD_compID:c0165 {source="UM-BBD"} xref: Wikipedia:Urea xref: YMDB:YMDB00003 is_a: BFO:0000004 ! independent continuant @@ -1141,13 +812,6 @@ relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabol relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=O" xsd:string [Term] id: CHEBI:16235 @@ -1160,7 +824,6 @@ alt_id: CHEBI:42948 alt_id: CHEBI:5563 def: "A 2-aminopurine carrying a 6-oxo substituent." [] subset: 3_STAR -synonym: "2-amino-1,9-dihydro-6H-purin-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-6-hydroxypurine" RELATED [KEGG_COMPOUND] synonym: "2-amino-6-oxopurine" RELATED [ChEBI] synonym: "G" RELATED [ChEBI] @@ -1168,20 +831,12 @@ synonym: "Gua" RELATED [CBN] synonym: "GUANINE" EXACT [PDBeChem] synonym: "Guanine" EXACT [KEGG_COMPOUND] synonym: "guanine" EXACT [UniProt] -xref: Beilstein:147911 {source="Beilstein"} -xref: CAS:73-40-5 {source="NIST Chemistry WebBook"} -xref: CAS:73-40-5 {source="ChemIDplus"} -xref: CAS:73-40-5 {source="KEGG COMPOUND"} xref: DrugBank:DB02377 -xref: Gmelin:431879 {source="Gmelin"} xref: HMDB:HMDB0000132 xref: KEGG:C00242 xref: KNApSAcK:C00001501 xref: MetaCyc:GUANINE xref: PDBeChem:GUN -xref: PMID:22770225 {source="Europe PMC"} -xref: PMID:8070089 {source="Europe PMC"} -xref: Reaxys:147911 {source="Reaxys"} xref: Wikipedia:Guanine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:20702 ! 2-aminopurines @@ -1193,13 +848,6 @@ relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabol relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N5O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UYTPUPDQBNUYGX-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "151.126" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "151.04941" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(N=C(NC1=O)N)NC=N2" xsd:string [Term] id: CHEBI:16385 @@ -1213,16 +861,11 @@ subset: 3_STAR synonym: "organic sulfides" RELATED [ChEBI] synonym: "RSR" RELATED [IUPAC] synonym: "Sulfide" RELATED [KEGG_COMPOUND] -synonym: "sulfides" EXACT IUPAC_NAME [IUPAC] synonym: "Thioether" RELATED [KEGG_COMPOUND] synonym: "thioethers" RELATED [IUPAC] xref: KEGG:C00297 is_a: CHEBI:26822 ! sulfide is_a: CHEBI:33261 ! organosulfur compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "SR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "32.066" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string [Term] id: CHEBI:16482 @@ -1242,29 +885,13 @@ synonym: "Naphthalen" RELATED [ChEBI] synonym: "NAPHTHALENE" EXACT [PDBeChem] synonym: "Naphthalene" EXACT [KEGG_COMPOUND] synonym: "naphthalene" EXACT [UniProt] -synonym: "naphthalene" EXACT IUPAC_NAME [IUPAC] synonym: "Naphthalin" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1421310 {source="Beilstein"} -xref: CAS:91-20-3 {source="ChemIDplus"} -xref: CAS:91-20-3 {source="KEGG COMPOUND"} -xref: CAS:91-20-3 {source="NIST Chemistry WebBook"} -xref: Gmelin:3347 {source="Gmelin"} xref: HMDB:HMDB0029751 xref: KEGG:C00829 xref: KNApSAcK:C00001259 xref: MetaCyc:NAPHTHALENE xref: PDBeChem:NPY -xref: PMID:10814889 {source="Europe PMC"} -xref: PMID:11202734 {source="Europe PMC"} -xref: PMID:16220979 {source="Europe PMC"} -xref: PMID:16699520 {source="Europe PMC"} -xref: PMID:17850896 {source="Europe PMC"} -xref: PMID:26875834 {source="Europe PMC"} -xref: PMID:26895256 {source="Europe PMC"} -xref: PMID:27439360 {source="Europe PMC"} xref: PPDB:1312 -xref: Reaxys:1421310 {source="Reaxys"} -xref: UM-BBD_compID:c0333 {source="UM-BBD"} xref: Wikipedia:Naphthalene is_a: CHEBI:25477 ! naphthalenes is_a: CHEBI:35426 ! ortho-fused bicyclic arene @@ -1272,13 +899,6 @@ relationship: RO:0000087 CHEBI:27311 ! has role volatile oil component relationship: RO:0000087 CHEBI:68494 ! has role apoptosis inhibitor relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:78298 ! has role environmental contaminant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFWIBTONFRDIAS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "128.17052" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.06260" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2ccccc2c1" xsd:string [Term] id: CHEBI:16509 @@ -1298,47 +918,22 @@ synonym: "1,4-benzoquinone" EXACT [NIST_Chemistry_WebBook] synonym: "2,5-Cyclohexadiene-1,4-dione" RELATED [KEGG_COMPOUND] synonym: "benzo-1,4-quinone" RELATED [NIST_Chemistry_WebBook] synonym: "benzoquinone" RELATED [ChemIDplus] -synonym: "cyclohexa-2,5-diene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "p-Benzoquinone" RELATED [KEGG_COMPOUND] synonym: "p-Chinon" RELATED [NIST_Chemistry_WebBook] synonym: "p-quinone" RELATED [HMDB] synonym: "para-benzoquinone" RELATED [HMDB] synonym: "Quinone" RELATED [KEGG_COMPOUND] -xref: Beilstein:773967 {source="Beilstein"} -xref: CAS:106-51-4 {source="NIST Chemistry WebBook"} -xref: CAS:106-51-4 {source="ChemIDplus"} -xref: CAS:106-51-4 {source="KEGG COMPOUND"} -xref: Gmelin:2741 {source="Gmelin"} xref: HMDB:HMDB0003364 xref: KEGG:C00472 xref: KEGG:C15602 xref: MetaCyc:P-BENZOQUINONE xref: PDBeChem:PLQ -xref: PMID:10462055 {source="Europe PMC"} -xref: PMID:11304127 {source="Europe PMC"} -xref: PMID:1395635 {source="Europe PMC"} -xref: PMID:15182198 {source="Europe PMC"} -xref: PMID:15618234 {source="Europe PMC"} -xref: PMID:15920754 {source="Europe PMC"} -xref: PMID:16484134 {source="Europe PMC"} -xref: PMID:24023812 {source="Europe PMC"} -xref: PMID:25057895 {source="Europe PMC"} -xref: PMID:9118901 {source="Europe PMC"} -xref: Reaxys:773967 {source="Reaxys"} -xref: UM-BBD_compID:c0261 {source="UM-BBD"} xref: Wikipedia:1\,4-Benzoquinone is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132124 ! 1,4-benzoquinones relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AZQWKYJCGOJGHM-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "108.09480" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "108.02113" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C=CC(=O)C=C1" xsd:string [Term] id: CHEBI:16646 @@ -1352,8 +947,6 @@ subset: 3_STAR synonym: "a carbohydrate" RELATED [UniProt] synonym: "carbohidrato" RELATED [IUPAC] synonym: "carbohidratos" RELATED [IUPAC] -synonym: "carbohydrate" EXACT IUPAC_NAME [IUPAC] -synonym: "carbohydrates" EXACT IUPAC_NAME [IUPAC] synonym: "glucide" RELATED [ChEBI] synonym: "glucides" RELATED [ChEBI] synonym: "glucido" RELATED [ChEBI] @@ -1378,7 +971,6 @@ def: "Amide derived from two or more amino carboxylic acid molecules (the same o subset: 3_STAR synonym: "Peptid" RELATED [ChEBI] synonym: "Peptide" EXACT [KEGG_COMPOUND] -synonym: "peptides" EXACT IUPAC_NAME [IUPAC] synonym: "peptido" RELATED [ChEBI] synonym: "peptidos" RELATED [ChEBI] xref: KEGG:C00012 @@ -1386,8 +978,6 @@ is_a: CHEBI:37622 ! carboxamide is_a: CHEBI:50047 ! organic amino compound relationship: BFO:0000051 CHEBI:33708 ! has part amino-acid residue relationship: is_tautomer_of CHEBI:60466 ! peptide zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "(C2H2NOR)nC2H3NOR" xsd:string [Term] id: CHEBI:16716 @@ -1403,7 +993,6 @@ synonym: "[6]annulene" RELATED [NIST_Chemistry_WebBook] synonym: "Benzen" RELATED [IUPAC] synonym: "BENZENE" EXACT [PDBeChem] synonym: "Benzene" EXACT [KEGG_COMPOUND] -synonym: "benzene" EXACT IUPAC_NAME [IUPAC] synonym: "benzene" EXACT [UniProt] synonym: "benzene" EXACT [ChEBI] synonym: "Benzine" RELATED [UM-BBD] @@ -1417,35 +1006,9 @@ synonym: "Phene" RELATED [ChemIDplus] synonym: "phenyl hydride" RELATED [UM-BBD] synonym: "Pyrobenzol" RELATED [ChemIDplus] synonym: "Pyrobenzole" RELATED [ChemIDplus] -xref: Beilstein:969212 {source="Beilstein"} -xref: CAS:71-43-2 {source="ChemIDplus"} -xref: CAS:71-43-2 {source="NIST Chemistry WebBook"} -xref: CAS:71-43-2 {source="KEGG COMPOUND"} -xref: Gmelin:1671 {source="Gmelin"} xref: HMDB:HMDB0001505 xref: KEGG:C01407 xref: PDBeChem:BNZ -xref: PMID:11684179 {source="Europe PMC"} -xref: PMID:11993966 {source="Europe PMC"} -xref: PMID:12857942 {source="Europe PMC"} -xref: PMID:14677922 {source="Europe PMC"} -xref: PMID:15468289 {source="Europe PMC"} -xref: PMID:15935818 {source="Europe PMC"} -xref: PMID:16161967 {source="Europe PMC"} -xref: PMID:17373369 {source="Europe PMC"} -xref: PMID:18072742 {source="Europe PMC"} -xref: PMID:18407866 {source="Europe PMC"} -xref: PMID:18409691 {source="Europe PMC"} -xref: PMID:18836923 {source="Europe PMC"} -xref: PMID:19228219 {source="Europe PMC"} -xref: PMID:21325737 {source="Europe PMC"} -xref: PMID:23088855 {source="Europe PMC"} -xref: PMID:23222815 {source="Europe PMC"} -xref: PMID:23534829 {source="Europe PMC"} -xref: PMID:6353911 {source="Europe PMC"} -xref: PMID:8124204 {source="Europe PMC"} -xref: Reaxys:969212 {source="Reaxys"} -xref: UM-BBD_compID:c0142 {source="UM-BBD"} xref: Wikipedia:Benzene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound @@ -1454,13 +1017,6 @@ is_a: CHEBI:33842 ! aromatic annulene relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:78298 ! has role environmental contaminant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHOVQNZJYSORNB-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "78.11184" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.04695" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccccc1" xsd:string [Term] id: CHEBI:16733 @@ -1472,18 +1028,12 @@ alt_id: CHEBI:20906 alt_id: CHEBI:4097 subset: 3_STAR synonym: "D-alpha-amino acid" EXACT [ChEBI] -synonym: "D-alpha-amino acids" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-amino acids" RELATED [ChEBI] synonym: "D-Amino acid" RELATED [KEGG_COMPOUND] xref: KEGG:C00405 is_a: CHEBI:83925 ! non-proteinogenic alpha-amino acid relationship: is_conjugate_acid_of CHEBI:60895 ! D-alpha-amino acid anion relationship: is_tautomer_of CHEBI:59871 ! D-alpha-amino acid zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H]([*])C(O)=O" xsd:string [Term] id: CHEBI:167559 @@ -1508,40 +1058,19 @@ synonym: "Formaldehyd" RELATED [NIST_Chemistry_WebBook] synonym: "FORMALDEHYDE" EXACT [PDBeChem] synonym: "Formaldehyde" EXACT [KEGG_COMPOUND] synonym: "formaldehyde" EXACT [UniProt] -synonym: "formaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "FORMALIN" RELATED [ChEMBL] synonym: "Formalin" RELATED [KEGG_COMPOUND] synonym: "Methanal" RELATED [KEGG_COMPOUND] synonym: "Methylene oxide" RELATED [KEGG_COMPOUND] synonym: "Oxomethane" RELATED [KEGG_COMPOUND] synonym: "Oxomethylene" RELATED [KEGG_COMPOUND] -xref: Beilstein:1209228 {source="Beilstein"} -xref: CAS:50-00-0 {source="NIST Chemistry WebBook"} -xref: CAS:50-00-0 {source="ChemIDplus"} -xref: CAS:50-00-0 {source="KEGG COMPOUND"} -xref: Drug_Central:3244 {source="DrugCentral"} xref: DrugBank:DB03843 -xref: Gmelin:445 {source="Gmelin"} xref: HMDB:HMDB0001426 xref: KEGG:C00067 xref: KEGG:D00017 xref: MetaCyc:FORMALDEHYDE xref: PDBeChem:FOR -xref: PMID:110589 {source="Europe PMC"} -xref: PMID:12686735 {source="Europe PMC"} -xref: PMID:15091529 {source="Europe PMC"} -xref: PMID:16423181 {source="Europe PMC"} -xref: PMID:17618393 {source="Europe PMC"} -xref: PMID:18837732 {source="Europe PMC"} -xref: PMID:25042713 {source="Europe PMC"} -xref: PMID:7381846 {source="ChEMBL"} -xref: PMID:7548723 {source="Europe PMC"} -xref: PMID:7689168 {source="Europe PMC"} -xref: PMID:7896413 {source="Europe PMC"} -xref: PMID:9686972 {source="Europe PMC"} xref: PPDB:359 -xref: Reaxys:1209228 {source="Reaxys"} -xref: UM-BBD_compID:c0122 {source="UM-BBD"} xref: Wikipedia:Formaldehyde is_a: BFO:0000004 ! independent continuant is_a: CHEBI:17478 ! aldehyde @@ -1554,13 +1083,6 @@ relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabol relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77941 ! has role EC 3.5.1.4 (amidase) inhibitor relationship: RO:0000087 CHEBI:78298 ! has role environmental contaminant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O/c1-2/h1H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSFSSNUMVMOOMR-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02598" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.01056" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])=O" xsd:string [Term] id: CHEBI:16991 @@ -1576,19 +1098,16 @@ synonym: "(Deoxyribonucleotide)m" RELATED [KEGG_COMPOUND] synonym: "(Deoxyribonucleotide)n" RELATED [KEGG_COMPOUND] synonym: "(Deoxyribonucleotide)n+m" RELATED [KEGG_COMPOUND] synonym: "Deoxyribonucleic acid" EXACT [KEGG_COMPOUND] -synonym: "deoxyribonucleic acids" EXACT IUPAC_NAME [IUPAC] synonym: "deoxyribonucleic acids" RELATED [ChEBI] synonym: "Desoxyribonukleinsaeure" RELATED [ChEBI] synonym: "desoxyribose nucleic acid" RELATED [ChemIDplus] +synonym: "DNA" RELATED [IUPAC] synonym: "DNA" RELATED [UniProt] synonym: "DNA" RELATED [KEGG_COMPOUND] -synonym: "DNA" RELATED [IUPAC] synonym: "DNAn" RELATED [KEGG_COMPOUND] synonym: "DNAn+1" RELATED [KEGG_COMPOUND] synonym: "DNS" RELATED [ChEBI] synonym: "thymus nucleic acid" RELATED [ChEBI] -xref: CAS:9007-49-2 {source="ChemIDplus"} -xref: CAS:9007-49-2 {source="KEGG COMPOUND"} xref: KEGG:C00039 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33696 ! nucleic acid @@ -1607,28 +1126,17 @@ alt_id: CHEBI:42207 alt_id: CHEBI:4224 def: "The D-enantiomer of phenylalanine." [] subset: 3_STAR -synonym: "(2R)-2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Phe" RELATED [ChEBI] synonym: "D-PHENYLALANINE" EXACT [PDBeChem] synonym: "D-Phenylalanine" EXACT [KEGG_COMPOUND] -synonym: "D-phenylalanine" EXACT IUPAC_NAME [IUPAC] synonym: "DPN" RELATED [PDBeChem] synonym: "phenylalanine D-form" RELATED [ChemIDplus] -xref: Beilstein:2804068 {source="Beilstein"} -xref: CAS:673-06-3 {source="KEGG COMPOUND"} -xref: CAS:673-06-3 {source="ChemIDplus"} xref: DrugBank:DB02556 xref: ECMDB:ECMDB20144 -xref: Gmelin:83219 {source="Gmelin"} xref: KEGG:C02265 xref: MetaCyc:CPD-216 xref: PDBeChem:DPN -xref: PMID:22382026 {source="Europe PMC"} -xref: PMID:22397264 {source="Europe PMC"} -xref: PMID:24464217 {source="Europe PMC"} -xref: PMID:7114516 {source="Europe PMC"} -xref: Reaxys:2804068 {source="Reaxys"} xref: YMDB:YMDB00995 is_a: CHEBI:16733 ! D-alpha-amino acid is_a: CHEBI:28044 ! phenylalanine @@ -1636,13 +1144,6 @@ relationship: is_conjugate_acid_of CHEBI:32494 ! D-phenylalaninate relationship: is_conjugate_base_of CHEBI:32495 ! D-phenylalaninium relationship: is_enantiomer_of CHEBI:17295 ! L-phenylalanine relationship: is_tautomer_of CHEBI:57981 ! D-phenylalanine zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:17051 @@ -1656,26 +1157,14 @@ synonym: "F(-)" RELATED [IUPAC] synonym: "F-" RELATED [KEGG_COMPOUND] synonym: "Fluoride" EXACT [KEGG_COMPOUND] synonym: "fluoride" EXACT [UniProt] -synonym: "fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "FLUORIDE ION" RELATED [PDBeChem] synonym: "Fluoride ion" RELATED [KEGG_COMPOUND] -synonym: "fluoride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Fluorine anion" RELATED [NIST_Chemistry_WebBook] -xref: CAS:16984-48-8 {source="NIST Chemistry WebBook"} -xref: CAS:16984-48-8 {source="ChemIDplus"} -xref: Gmelin:14905 {source="Gmelin"} xref: KEGG:C00742 xref: PDBeChem:F is_a: CHEBI:16042 ! halide anion is_a: CHEBI:36895 ! monoatomic fluorine relationship: is_conjugate_base_of CHEBI:29228 ! hydrogen fluoride -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99895" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-]" xsd:string [Term] id: CHEBI:17087 @@ -1692,17 +1181,11 @@ synonym: "a ketone" RELATED [UniProt] synonym: "cetone" RELATED [ChEBI] synonym: "Keton" RELATED [ChEBI] synonym: "Ketone" EXACT [KEGG_COMPOUND] -synonym: "ketones" EXACT IUPAC_NAME [IUPAC] synonym: "ketones" RELATED [ChEBI] synonym: "R-CO-R'" RELATED [KEGG_COMPOUND] xref: KEGG:C01450 xref: Wikipedia:Ketone is_a: CHEBI:36586 ! carbonyl compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "COR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "28.010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C([*])=O" xsd:string [Term] id: CHEBI:17102 @@ -1734,16 +1217,7 @@ synonym: "HSO3(-)" RELATED [IUPAC] synonym: "HSO3-" RELATED [KEGG_COMPOUND] synonym: "Hydrogen sulfite" RELATED [KEGG_COMPOUND] synonym: "hydrogen sulfite(1-)" RELATED [ChemIDplus] -synonym: "hydrogen(trioxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogensulfite(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentrioxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentrioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrosulfite anion" RELATED [ChemIDplus] -synonym: "hydroxidodioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "monohydrogentrioxosulfate" EXACT IUPAC_NAME [IUPAC] -xref: CAS:15181-46-1 {source="KEGG COMPOUND"} -xref: CAS:15181-46-1 {source="ChemIDplus"} -xref: Gmelin:1455 {source="Gmelin"} xref: KEGG:C11481 xref: PDBeChem:SO3 is_a: BFO:0000004 ! independent continuant @@ -1753,13 +1227,6 @@ relationship: is_conjugate_base_of CHEBI:48854 ! sulfurous acid relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS([O-])=O" xsd:string [Term] id: CHEBI:172390 @@ -1768,11 +1235,6 @@ namespace: chebi_ontology def: "A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics." [] subset: 3_STAR synonym: "glycol ethers" RELATED [ChEBI] -xref: PMID:28650840 {source="Europe PMC"} -xref: PMID:29536623 {source="Europe PMC"} -xref: PMID:30471335 {source="Europe PMC"} -xref: PMID:31518935 {source="Europe PMC"} -xref: PMID:32172156 {source="Europe PMC"} xref: Wikipedia:Glycol_ethers is_a: BFO:0000004 ! independent continuant is_a: CHEBI:46789 ! hydroxyether @@ -1787,25 +1249,14 @@ alt_id: CHEBI:14968 alt_id: CHEBI:8639 def: "The 7H-tautomer of purine." [] subset: 3_STAR -synonym: "7H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "Purine" RELATED [KEGG_COMPOUND] synonym: "Purine base" RELATED [KEGG_COMPOUND] -xref: Beilstein:3200 {source="Beilstein"} -xref: Gmelin:601779 {source="Gmelin"} xref: HMDB:HMDB0001366 xref: KEGG:C15587 -xref: Reaxys:3200 {source="Reaxys"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ncc2[nH]cnc2n1" xsd:string [Term] id: CHEBI:17295 @@ -1819,45 +1270,22 @@ alt_id: CHEBI:45079 alt_id: CHEBI:6282 def: "The L-enantiomer of phenylalanine." [] subset: 3_STAR -synonym: "(2S)-2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-Amino-3-phenylpropionic acid" RELATED [HMDB] synonym: "(S)-alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "3-phenyl-L-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "beta-phenyl-L-alanine" RELATED [NIST_Chemistry_WebBook] synonym: "F" RELATED [ChEBI] synonym: "L-Phenylalanine" EXACT [KEGG_COMPOUND] -synonym: "L-phenylalanine" EXACT IUPAC_NAME [IUPAC] synonym: "Phe" RELATED [ChEBI] synonym: "PHENYLALANINE" RELATED [PDBeChem] -xref: Beilstein:1910408 {source="Beilstein"} -xref: CAS:63-91-2 {source="KEGG COMPOUND"} -xref: CAS:63-91-2 {source="NIST Chemistry WebBook"} -xref: CAS:63-91-2 {source="ChemIDplus"} -xref: Drug_Central:2144 {source="DrugCentral"} xref: DrugBank:DB00120 xref: ECMDB:ECMDB00159 -xref: Gmelin:50837 {source="Gmelin"} xref: HMDB:HMDB0000159 xref: KEGG:C00079 xref: KEGG:D00021 xref: KNApSAcK:C00001386 xref: MetaCyc:PHE xref: PDBeChem:PHE -xref: PMID:13945318 {source="Europe PMC"} -xref: PMID:16893175 {source="Europe PMC"} -xref: PMID:17784858 {source="Europe PMC"} -xref: PMID:21203787 {source="Europe PMC"} -xref: PMID:21956539 {source="Europe PMC"} -xref: PMID:22081386 {source="Europe PMC"} -xref: PMID:22112574 {source="Europe PMC"} -xref: PMID:22143120 {source="Europe PMC"} -xref: PMID:22209218 {source="Europe PMC"} -xref: PMID:22494897 {source="Europe PMC"} -xref: PMID:23836015 {source="Europe PMC"} -xref: PMID:24464217 {source="Europe PMC"} -xref: PMID:24733517 {source="Europe PMC"} -xref: PMID:24966042 {source="Europe PMC"} -xref: Reaxys:1910408 {source="Reaxys"} xref: Wikipedia:Phenylalanine xref: YMDB:YMDB00304 is_a: CHEBI:28044 ! phenylalanine @@ -1875,13 +1303,6 @@ relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:173085 @@ -1890,10 +1311,6 @@ namespace: chebi_ontology def: "Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." [] subset: 3_STAR synonym: "ferroptosis inducers" RELATED [ChEBI] -xref: PMID:31899616 {source="Europe PMC"} -xref: PMID:32015325 {source="SUBMITTER"} -xref: PMID:33167414 {source="Europe PMC"} -xref: PMID:34012798 {source="Europe PMC"} xref: Wikipedia:Ferroptosis is_a: CHEBI:52206 ! biochemical role @@ -1908,27 +1325,14 @@ subset: 3_STAR synonym: "[SO3](2-)" RELATED [IUPAC] synonym: "SO3" RELATED [ChEBI] synonym: "SO3(2-)" RELATED [IUPAC] -synonym: "sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "sulfite" EXACT [UniProt] synonym: "SULFITE ION" RELATED [PDBeChem] synonym: "sulphite" RELATED [ChEBI] -synonym: "trioxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "trioxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "trioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] -xref: CAS:14265-45-3 {source="ChemIDplus"} -xref: Gmelin:1449 {source="Gmelin"} xref: PDBeChem:SO3 is_a: CHEBI:33482 ! sulfur oxoanion is_a: CHEBI:48154 ! sulfur oxide is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:17137 ! hydrogensulfite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95791" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])=O" xsd:string [Term] id: CHEBI:17418 @@ -1953,7 +1357,6 @@ synonym: "n-valeric acid" RELATED [ChemIDplus] synonym: "Pentanoate" RELATED [KEGG_COMPOUND] synonym: "PENTANOIC ACID" RELATED [PDBeChem] synonym: "Pentanoic acid" RELATED [KEGG_COMPOUND] -synonym: "pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pentoic acid" RELATED [ChEBI] synonym: "propylacetic acid" RELATED [ChemIDplus] synonym: "Valerate" RELATED [KEGG_COMPOUND] @@ -1961,32 +1364,17 @@ synonym: "Valerianic acid" RELATED [KEGG_COMPOUND] synonym: "Valeriansaeure" RELATED [ChEBI] synonym: "Valeric acid" EXACT [KEGG_COMPOUND] synonym: "valeric acid, normal" RELATED [ChemIDplus] -xref: Beilstein:969454 {source="Beilstein"} -xref: CAS:109-52-4 {source="ChemIDplus"} -xref: CAS:109-52-4 {source="NIST Chemistry WebBook"} -xref: CAS:109-52-4 {source="KEGG COMPOUND"} xref: DrugBank:DB02406 -xref: Gmelin:26714 {source="Gmelin"} xref: HMDB:HMDB0000892 xref: KEGG:C00803 xref: KNApSAcK:C00001208 -xref: LIPID_MAPS_instance:LMFA01010005 {source="LIPID MAPS"} xref: PDBeChem:LEA -xref: PMID:20507156 {source="Europe PMC"} xref: PPDB:3130 -xref: Reaxys:969454 {source="Reaxys"} xref: Wikipedia:Valeric_acid is_a: CHEBI:26666 ! short-chain fatty acid is_a: CHEBI:39418 ! straight-chain saturated fatty acid relationship: is_conjugate_acid_of CHEBI:31011 ! valerate relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "102.13170" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.06808" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC(O)=O" xsd:string [Term] id: CHEBI:17478 @@ -2006,8 +1394,6 @@ synonym: "aldehidos" RELATED [ChEBI] synonym: "Aldehyd" RELATED [ChEBI] synonym: "Aldehyde" EXACT [KEGG_COMPOUND] synonym: "aldehyde" EXACT [ChEBI] -synonym: "aldehyde" EXACT IUPAC_NAME [IUPAC] -synonym: "aldehydes" EXACT IUPAC_NAME [IUPAC] synonym: "aldehydes" RELATED [ChEBI] synonym: "aldehydum" RELATED [ChEBI] synonym: "an aldehyde" RELATED [UniProt] @@ -2016,11 +1402,6 @@ synonym: "RCHO" RELATED [KEGG_COMPOUND] xref: KEGG:C00071 is_a: CHEBI:36586 ! carbonyl compound relationship: BFO:0000051 CHEBI:42485 ! has part formyl group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHOR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01800" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([*])=O" xsd:string [Term] id: CHEBI:17544 @@ -2039,29 +1420,12 @@ synonym: "BICARBONATE ION" RELATED [PDBeChem] synonym: "HCO3(-)" RELATED [IUPAC] synonym: "HCO3-" RELATED [KEGG_COMPOUND] synonym: "hydrogen carbonate" RELATED [PDBeChem] -synonym: "hydrogen(trioxidocarbonate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogencarbonate" EXACT [KEGG_COMPOUND] synonym: "hydrogencarbonate" EXACT [UniProt] -synonym: "hydrogencarbonate" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogencarbonate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentrioxocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentrioxocarbonate(IV)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydroxidodioxidocarbonate(1-)" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:3903504 {source="Beilstein"} -xref: CAS:71-52-3 {source="ChemIDplus"} -xref: Gmelin:49249 {source="Gmelin"} xref: HMDB:HMDB0000595 xref: KEGG:C00288 xref: MetaCyc:HCO3 xref: PDBeChem:BCT -xref: PMID:17215880 {source="Europe PMC"} -xref: PMID:17505962 {source="Europe PMC"} -xref: PMID:18439416 {source="Europe PMC"} -xref: PMID:28732801 {source="Europe PMC"} -xref: PMID:29150416 {source="Europe PMC"} -xref: PMID:29460248 {source="Europe PMC"} -xref: PMID:29466234 {source="Europe PMC"} -xref: PMID:4208463 {source="Europe PMC"} xref: Wikipedia:Bicarbonate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35604 ! carbon oxoanion @@ -2072,13 +1436,6 @@ relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "61.01684" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.99312" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([O-])=O" xsd:string [Term] id: CHEBI:17568 @@ -2093,46 +1450,19 @@ subset: 3_STAR synonym: "2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "2,4-Dioxopyrimidine" RELATED [HMDB] synonym: "2,4-Pyrimidinedione" RELATED [HMDB] -synonym: "pyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "U" RELATED [ChEBI] synonym: "Ura" RELATED [CBN] synonym: "URACIL" EXACT [PDBeChem] synonym: "Uracil" EXACT [KEGG_COMPOUND] synonym: "uracil" EXACT [UniProt] synonym: "Urazil" RELATED [ChEBI] -xref: Beilstein:606623 {source="Beilstein"} -xref: CAS:66-22-8 {source="NIST Chemistry WebBook"} -xref: CAS:66-22-8 {source="KEGG COMPOUND"} -xref: CAS:66-22-8 {source="ChemIDplus"} xref: DrugBank:DB03419 -xref: Gmelin:2896 {source="Gmelin"} xref: HMDB:HMDB0000300 xref: KEGG:C00106 xref: KEGG:D00027 xref: KNApSAcK:C00001513 xref: MetaCyc:URACIL xref: PDBeChem:URA -xref: PMID:11279060 {source="Europe PMC"} -xref: PMID:12855717 {source="Europe PMC"} -xref: PMID:15274295 {source="Europe PMC"} -xref: PMID:16834123 {source="Europe PMC"} -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:18533995 {source="Europe PMC"} -xref: PMID:18815805 {source="Europe PMC"} -xref: PMID:19175333 {source="Europe PMC"} -xref: PMID:22020693 {source="Europe PMC"} -xref: PMID:22074393 {source="Europe PMC"} -xref: PMID:22120518 {source="Europe PMC"} -xref: PMID:22171528 {source="Europe PMC"} -xref: PMID:22237209 {source="Europe PMC"} -xref: PMID:22299724 {source="Europe PMC"} -xref: PMID:22356544 {source="Europe PMC"} -xref: PMID:22447672 {source="Europe PMC"} -xref: PMID:22483865 {source="Europe PMC"} -xref: PMID:22567906 {source="Europe PMC"} -xref: PMID:22685418 {source="Europe PMC"} -xref: PMID:3654008 {source="Europe PMC"} -xref: Reaxys:606623 {source="Reaxys"} xref: Wikipedia:Uracil is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26432 ! pyrimidine nucleobase @@ -2145,13 +1475,6 @@ relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabol relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4N2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ISAKRJDGNUQOIC-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "112.08684" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.02728" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1cc[nH]c(=O)[nH]1" xsd:string [Term] id: CHEBI:17578 @@ -2168,64 +1491,12 @@ synonym: "phenylmethane" RELATED [ChemIDplus] synonym: "Toluen" RELATED [NIST_Chemistry_WebBook] synonym: "TOLUENE" EXACT [PDBeChem] synonym: "Toluene" EXACT [KEGG_COMPOUND] -synonym: "toluene" EXACT [ChEBI] synonym: "toluene" EXACT [UniProt] -synonym: "toluene" EXACT IUPAC_NAME [IUPAC] +synonym: "toluene" EXACT [ChEBI] synonym: "Toluol" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:635760 {source="Beilstein"} -xref: CAS:108-88-3 {source="KEGG COMPOUND"} -xref: CAS:108-88-3 {source="NIST Chemistry WebBook"} -xref: CAS:108-88-3 {source="ChemIDplus"} xref: DrugBank:DB01900 -xref: Gmelin:2456 {source="Gmelin"} xref: KEGG:C01455 xref: PDBeChem:MBN -xref: PMID:11182169 {source="Europe PMC"} -xref: PMID:11314682 {source="Europe PMC"} -xref: PMID:11846266 {source="Europe PMC"} -xref: PMID:11991009 {source="Europe PMC"} -xref: PMID:12062755 {source="Europe PMC"} -xref: PMID:12213539 {source="Europe PMC"} -xref: PMID:12237258 {source="Europe PMC"} -xref: PMID:12784113 {source="Europe PMC"} -xref: PMID:12876426 {source="Europe PMC"} -xref: PMID:14512097 {source="Europe PMC"} -xref: PMID:14559343 {source="Europe PMC"} -xref: PMID:14605898 {source="Europe PMC"} -xref: PMID:15015825 {source="Europe PMC"} -xref: PMID:15019953 {source="Europe PMC"} -xref: PMID:15119846 {source="Europe PMC"} -xref: PMID:15193425 {source="Europe PMC"} -xref: PMID:15542760 {source="Europe PMC"} -xref: PMID:15567510 {source="Europe PMC"} -xref: PMID:15695158 {source="Europe PMC"} -xref: PMID:15796064 {source="Europe PMC"} -xref: PMID:16316648 {source="Europe PMC"} -xref: PMID:16348226 {source="Europe PMC"} -xref: PMID:16601996 {source="Europe PMC"} -xref: PMID:17145141 {source="Europe PMC"} -xref: PMID:17175136 {source="Europe PMC"} -xref: PMID:17497535 {source="Europe PMC"} -xref: PMID:17725881 {source="Europe PMC"} -xref: PMID:18397809 {source="Europe PMC"} -xref: PMID:18832024 {source="Europe PMC"} -xref: PMID:19261054 {source="Europe PMC"} -xref: PMID:19384711 {source="Europe PMC"} -xref: PMID:19429395 {source="Europe PMC"} -xref: PMID:19635754 {source="Europe PMC"} -xref: PMID:19765629 {source="Europe PMC"} -xref: PMID:19825861 {source="Europe PMC"} -xref: PMID:19928203 {source="Europe PMC"} -xref: PMID:19969016 {source="Europe PMC"} -xref: PMID:20347282 {source="Europe PMC"} -xref: PMID:20837561 {source="Europe PMC"} -xref: PMID:21430649 {source="Europe PMC"} -xref: PMID:21655021 {source="Europe PMC"} -xref: PMID:21731073 {source="Europe PMC"} -xref: PMID:21802510 {source="Europe PMC"} -xref: PMID:21840036 {source="Europe PMC"} -xref: Reaxys:635760 {source="Reaxys"} -xref: UM-BBD_compID:c0114 {source="UM-BBD"} xref: Wikipedia:Toluene is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound @@ -2235,13 +1506,6 @@ relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:48873 ! has role cholinergic antagonist relationship: RO:0000087 CHEBI:50910 ! has role neurotoxin relationship: RO:0000087 CHEBI:62803 ! has role fuel additive -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFVVABEGXRONW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "92.13842" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.06260" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccccc1" xsd:string [Term] id: CHEBI:17590 @@ -2259,35 +1523,17 @@ synonym: "N-OCTANE" RELATED [PDBeChem] synonym: "n-Octane" RELATED [KEGG_COMPOUND] synonym: "n-Oktan" RELATED [ChEBI] synonym: "Octane" EXACT [KEGG_COMPOUND] -synonym: "octane" EXACT IUPAC_NAME [IUPAC] synonym: "octane" EXACT [UniProt] synonym: "Oktan" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1696875 {source="Beilstein"} -xref: CAS:111-65-9 {source="KEGG COMPOUND"} -xref: CAS:111-65-9 {source="NIST Chemistry WebBook"} -xref: CAS:111-65-9 {source="ChemIDplus"} xref: DrugBank:DB02440 -xref: Gmelin:82412 {source="Gmelin"} xref: HMDB:HMDB0001485 xref: KEGG:C01387 -xref: LIPID_MAPS_instance:LMFA11000002 {source="LIPID MAPS"} xref: MetaCyc:CPD-148 xref: PDBeChem:OCT -xref: PMID:11255151 {source="Europe PMC"} -xref: PMID:24354334 {source="Europe PMC"} -xref: Reaxys:1696875 {source="Reaxys"} -xref: UM-BBD_compID:c0044 {source="UM-BBD"} xref: Wikipedia:Octane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:35703 ! has role xenobiotic -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVMXDCGIABBOFY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "114.22852" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.14085" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC" xsd:string [Term] id: CHEBI:17594 @@ -2302,7 +1548,6 @@ synonym: "1,4-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "1,4-Dihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "4-Hydroxyphenol" RELATED [KEGG_COMPOUND] synonym: "Benzene-1,4-diol" RELATED [KEGG_COMPOUND] -synonym: "benzene-1,4-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Eldoquin" RELATED [ChemIDplus] synonym: "Hydroquinone" EXACT [KEGG_COMPOUND] synonym: "hydroquinone" EXACT [UniProt] @@ -2310,31 +1555,13 @@ synonym: "p-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "p-Hydroquinone" RELATED [KEGG_COMPOUND] synonym: "p-hydroxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "Quinol" RELATED [KEGG_COMPOUND] -xref: Beilstein:605970 {source="Beilstein"} -xref: CAS:123-31-9 {source="ChemIDplus"} -xref: CAS:123-31-9 {source="NIST Chemistry WebBook"} -xref: CAS:123-31-9 {source="KEGG COMPOUND"} -xref: Drug_Central:3282 {source="DrugCentral"} -xref: Gmelin:2742 {source="Gmelin"} xref: HMDB:HMDB0002434 xref: KEGG:C00530 xref: KEGG:C15603 xref: KEGG:D00073 xref: KNApSAcK:C00002656 xref: MetaCyc:HYDROQUINONE -xref: PMID:11170505 {source="Europe PMC"} -xref: PMID:12213471 {source="Europe PMC"} -xref: PMID:1395635 {source="Europe PMC"} -xref: PMID:15618234 {source="Europe PMC"} -xref: PMID:15894107 {source="Europe PMC"} -xref: PMID:1899343 {source="Europe PMC"} -xref: PMID:19148301 {source="Europe PMC"} -xref: PMID:24407054 {source="Europe PMC"} -xref: PMID:24858384 {source="Europe PMC"} -xref: PMID:25586344 {source="Europe PMC"} xref: PPDB:1503 -xref: Reaxys:605970 {source="Reaxys"} -xref: UM-BBD_compID:c0091 {source="UM-BBD"} xref: Wikipedia:Hydroquinone is_a: BFO:0000004 ! independent continuant is_a: CHEBI:17701 ! benzenediol @@ -2346,13 +1573,6 @@ relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76967 ! has role human xenobiotic metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:85046 ! has role skin lightening agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIGBRXMKCJKVMJ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "110.11064" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(O)cc1" xsd:string [Term] id: CHEBI:176497 @@ -2367,12 +1587,6 @@ synonym: "anti-aging drugs" RELATED [ChEBI] synonym: "geroprotective agent" RELATED [ChEBI] synonym: "geroprotective agents" RELATED [ChEBI] synonym: "geroprotectors" RELATED [ChEBI] -xref: PMID:23372317 {source="Europe PMC"} -xref: PMID:28580190 {source="Europe PMC"} -xref: PMID:30885572 {source="Europe PMC"} -xref: PMID:33144142 {source="Europe PMC"} -xref: PMID:33973253 {source="Europe PMC"} -xref: PMID:34606237 {source="Europe PMC"} xref: Wikipedia:Geroprotector is_a: CHEBI:50267 ! protective agent @@ -2399,16 +1613,9 @@ alt_id: CHEBI:13878 alt_id: CHEBI:3027 subset: 3_STAR synonym: "Benzenediol" EXACT [KEGG_COMPOUND] -synonym: "benzenediol" EXACT IUPAC_NAME [IUPAC] synonym: "dihydroxybenzene" RELATED [ChEBI] -xref: CAS:12385-08-9 {source="ChemIDplus"} -xref: CAS:12385-08-9 {source="KEGG COMPOUND"} xref: KEGG:C01785 is_a: CHEBI:33570 ! benzenediols -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "110.111" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string [Term] id: CHEBI:17748 @@ -2432,22 +1639,14 @@ synonym: "dThd" RELATED [CBN] synonym: "T" RELATED [ChEBI] synonym: "THYMIDINE" EXACT [PDBeChem] synonym: "Thymidine" EXACT [KEGG_COMPOUND] -synonym: "thymidine" EXACT IUPAC_NAME [IUPAC] synonym: "thymidine" EXACT [UniProt] synonym: "thymine 2'-deoxyriboside" RELATED [ChEBI] -xref: Beilstein:89285 {source="Beilstein"} -xref: CAS:50-89-5 {source="KEGG COMPOUND"} -xref: CAS:50-89-5 {source="ChemIDplus"} xref: DrugBank:DB04485 -xref: Gmelin:282610 {source="Gmelin"} xref: HMDB:HMDB0000273 xref: KEGG:C00214 xref: KNApSAcK:C00019698 xref: MetaCyc:THYMIDINE xref: PDBeChem:THM -xref: PMID:22770225 {source="Europe PMC"} -xref: PMID:2559771 {source="Europe PMC"} -xref: Reaxys:89285 {source="Reaxys"} xref: Wikipedia:Thymidine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside @@ -2456,13 +1655,6 @@ relationship: is_enantiomer_of CHEBI:63624 ! telbivudine relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2O5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQFYYKKMVGJFEH-XLPZGREQSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "242.22860" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.09027" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:17792 @@ -2482,9 +1674,6 @@ xref: KEGG:C01322 xref: MetaCyc:Organohalogen-Compounds is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:37578 ! halide -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "RX" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "**" xsd:string [Term] id: CHEBI:17821 @@ -2507,17 +1696,10 @@ synonym: "Thymin" RELATED [ChemIDplus] synonym: "THYMINE" EXACT [PDBeChem] synonym: "Thymine" EXACT [KEGG_COMPOUND] synonym: "thymine" EXACT [UniProt] -synonym: "thymine" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:607626 {source="Beilstein"} -xref: CAS:65-71-4 {source="NIST Chemistry WebBook"} -xref: CAS:65-71-4 {source="ChemIDplus"} -xref: CAS:65-71-4 {source="KEGG COMPOUND"} xref: DrugBank:DB03462 -xref: Gmelin:278790 {source="Gmelin"} xref: KEGG:C00178 xref: KNApSAcK:C00001511 xref: PDBeChem:TDR -xref: PMID:23237383 {source="Europe PMC"} xref: Wikipedia:Thymine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26432 ! pyrimidine nucleobase @@ -2525,13 +1707,6 @@ is_a: CHEBI:38337 ! pyrimidone relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6N2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWQNBRDOKXIBIV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "126.11342" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.04293" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c[nH]c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:17883 @@ -2543,8 +1718,6 @@ alt_id: CHEBI:5590 def: "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms." [] subset: 3_STAR synonym: "[HCl]" RELATED [IUPAC] -synonym: "chlorane" EXACT IUPAC_NAME [IUPAC] -synonym: "chloridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "chlorure d'hydrogene" RELATED [ChEBI] synonym: "Chlorwasserstoff" RELATED [ChEBI] synonym: "cloruro de hidrogeno" RELATED [ChEBI] @@ -2552,22 +1725,12 @@ synonym: "HCl" RELATED [KEGG_COMPOUND] synonym: "hydrochloric acid" RELATED [ChemIDplus] synonym: "Hydrochloride" RELATED [KEGG_COMPOUND] synonym: "Hydrogen chloride" EXACT [KEGG_COMPOUND] -synonym: "hydrogen chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenchlorid" RELATED [ChEBI] synonym: "Wasserstoffchlorid" RELATED [ChEBI] -xref: CAS:7647-01-0 {source="ChemIDplus"} -xref: CAS:7647-01-0 {source="NIST Chemistry WebBook"} -xref: CAS:7647-01-0 {source="KEGG COMPOUND"} -xref: Drug_Central:4568 {source="DrugCentral"} -xref: Gmelin:322 {source="Gmelin"} xref: HMDB:HMDB0002306 xref: KEGG:C01327 xref: KEGG:D02057 xref: MetaCyc:HCL -xref: PMID:15823700 {source="Europe PMC"} -xref: PMID:17492841 {source="Europe PMC"} -xref: PMID:22804993 {source="Europe PMC"} -xref: Reaxys:1098214 {source="Reaxys"} xref: Wikipedia:HCl xref: Wikipedia:Hydrochloric_acid is_a: CHEBI:138675 ! gas molecular entity @@ -2577,14 +1740,6 @@ is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:17996 ! chloride relationship: is_conjugate_base_of CHEBI:50315 ! chloronium relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HCl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "36.46064" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "35.97668" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[H]" xsd:string [Term] id: CHEBI:17891 @@ -2611,29 +1766,17 @@ def: "A carbamate ester obtained by the formal condensation of ethanol with carb subset: 3_STAR synonym: "carbamic acid ethyl ester" RELATED [ChEBI] synonym: "Ethyl carbamate" RELATED [KEGG_COMPOUND] -synonym: "ethyl carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Urethane" EXACT [KEGG_COMPOUND] synonym: "urethane" EXACT [UniProt] -xref: CAS:51-79-6 {source="KEGG COMPOUND"} xref: DrugBank:DB04827 xref: HMDB:HMDB0031219 xref: KEGG:C01537 xref: LINCS:LSM-37020 -xref: PMID:15790490 {source="Europe PMC"} -xref: PMID:24386880 {source="Europe PMC"} -xref: Reaxys:635810 {source="Reaxys"} xref: Wikipedia:Ethyl_carbamate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23003 ! carbamate ester relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:76946 ! has role fungal metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JOYRKODLDBILNP-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOC(N)=O" xsd:string [Term] id: CHEBI:17996 @@ -2648,23 +1791,15 @@ def: "A halide anion formed when chlorine picks up an electron to form an an ani subset: 3_STAR synonym: "Chloride" EXACT [KEGG_COMPOUND] synonym: "chloride" EXACT [UniProt] -synonym: "chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CHLORIDE ION" RELATED [PDBeChem] synonym: "Chloride ion" RELATED [KEGG_COMPOUND] synonym: "Chloride(1-)" RELATED [ChemIDplus] -synonym: "chloride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorine anion" RELATED [NIST_Chemistry_WebBook] synonym: "Cl(-)" RELATED [IUPAC] synonym: "Cl-" RELATED [KEGG_COMPOUND] -xref: Beilstein:3587171 {source="Beilstein"} -xref: CAS:16887-00-6 {source="ChemIDplus"} -xref: CAS:16887-00-6 {source="NIST Chemistry WebBook"} -xref: CAS:16887-00-6 {source="KEGG COMPOUND"} -xref: Gmelin:14910 {source="Gmelin"} xref: KEGG:C00115 xref: KEGG:C00698 xref: PDBeChem:CL -xref: UM-BBD_compID:c0884 {source="UM-BBD"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:16042 ! halide anion is_a: CHEBI:33432 ! monoatomic chlorine @@ -2672,13 +1807,6 @@ relationship: is_conjugate_base_of CHEBI:17883 ! hydrogen chloride relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "35.45270" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96940" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-]" xsd:string [Term] id: CHEBI:18059 @@ -2690,7 +1818,6 @@ alt_id: CHEBI:6486 def: "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids." [] subset: 3_STAR synonym: "Lipid" EXACT [KEGG_COMPOUND] -synonym: "lipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01356 is_a: CHEBI:50860 ! organic molecular entity @@ -2703,15 +1830,9 @@ alt_id: CHEBI:37140 alt_id: CHEBI:5599 subset: 3_STAR synonym: "hydrogen halide" EXACT [IUPAC] -synonym: "hydrogen halides" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen halides" RELATED [ChEBI] is_a: CHEBI:33405 ! hydracid relationship: RO:0000087 CHEBI:138103 ! has role inorganic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HX" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[H]" xsd:string [Term] id: CHEBI:18237 @@ -2722,43 +1843,24 @@ alt_id: CHEBI:5431 def: "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] -synonym: "2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "DL-Glutamic acid" RELATED [KEGG_DRUG] synonym: "DL-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "Glutamic acid" EXACT [KEGG_COMPOUND] -synonym: "glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "Glutaminsaeure" RELATED [ChEBI] -xref: Beilstein:1723799 {source="Beilstein"} -xref: CAS:617-65-2 {source="ChemIDplus"} -xref: CAS:617-65-2 {source="NIST Chemistry WebBook"} -xref: CAS:617-65-2 {source="KEGG COMPOUND"} -xref: Gmelin:101971 {source="Gmelin"} xref: KEGG:C00302 xref: KEGG:D04341 xref: KNApSAcK:C00001358 xref: KNApSAcK:C00019577 -xref: PMID:15739367 {source="Europe PMC"} -xref: PMID:17190852 {source="Europe PMC"} -xref: PMID:24616376 {source="Europe PMC"} -xref: PMID:24984001 {source="Europe PMC"} -xref: Reaxys:1723799 {source="Reaxys"} xref: Wikipedia:Glutamic_acid is_a: CHEBI:26167 ! polar amino acid is_a: CHEBI:33704 ! alpha-amino acid relationship: BFO:0000051 CHEBI:50329 ! has part 2-carboxyethyl group relationship: is_conjugate_acid_of CHEBI:14321 ! glutamate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:18254 @@ -2779,11 +1881,6 @@ synonym: "ribonucleosides" RELATED [ChEBI] xref: KEGG:C00911 is_a: CHEBI:33838 ! nucleoside is_a: CHEBI:47019 ! dihydroxytetrahydrofuran -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O4R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "133.123" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.05008" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18274 @@ -2806,11 +1903,6 @@ xref: KEGG:C02269 xref: KEGG:C03216 is_a: CHEBI:23636 ! deoxyribonucleoside is_a: CHEBI:47018 ! monohydroxytetrahydrofuran -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O3R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "117.123" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.05517" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H]([*])C[C@@H]1O" xsd:string [Term] id: CHEBI:18282 @@ -2842,18 +1934,11 @@ synonym: "alcano" RELATED [IUPAC] synonym: "alcanos" RELATED [IUPAC] synonym: "Alkan" RELATED [ChEBI] synonym: "Alkane" EXACT [KEGG_COMPOUND] -synonym: "alkane" EXACT IUPAC_NAME [IUPAC] -synonym: "alkanes" EXACT IUPAC_NAME [IUPAC] synonym: "an alkane" RELATED [UniProt] synonym: "RH" RELATED [KEGG_COMPOUND] xref: KEGG:C01371 is_a: CHEBI:24632 ! hydrocarbon is_a: CHEBI:33653 ! aliphatic compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.035" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.02348" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]" xsd:string [Term] id: CHEBI:18367 @@ -2867,29 +1952,12 @@ subset: 3_STAR synonym: "[PO4](3-)" RELATED [IUPAC] synonym: "Orthophosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphate" RELATED [KEGG_COMPOUND] -synonym: "phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "PHOSPHATE ION" RELATED [PDBeChem] synonym: "PO4(3-)" RELATED [IUPAC] -synonym: "tetraoxidophosphate(3-)" EXACT IUPAC_NAME [IUPAC] -synonym: "tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] -synonym: "tetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:3903772 {source="Beilstein"} -xref: CAS:14265-44-2 {source="KEGG COMPOUND"} -xref: CAS:14265-44-2 {source="ChemIDplus"} -xref: Gmelin:1997 {source="Gmelin"} xref: KEGG:C00009 -xref: PDBeChem:PO4 {source="ChEBI"} -xref: Reaxys:3903772 {source="Reaxys"} is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79387 ! trivalent inorganic anion relationship: is_conjugate_base_of CHEBI:43474 ! hydrogenphosphate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O4P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-K" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "94.97136" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.95507" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]P([O-])([O-])=O" xsd:string [Term] id: CHEBI:19024 @@ -2898,23 +1966,11 @@ namespace: chebi_ontology subset: 3_STAR synonym: "1-amino-2-naphthol-4-sulfonic acid" RELATED [ChemIDplus] synonym: "1-amino-4-sulfo-2-naphthol" RELATED [ChemIDplus] -synonym: "4-amino-3-hydroxynaphthalene-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-amino-3-hydroxynaphthalene-1-sulphonic acid" RELATED [ChemIDplus] -xref: Beilstein:2697469 {source="Beilstein"} -xref: CAS:116-63-2 {source="NIST Chemistry WebBook"} -xref: CAS:116-63-2 {source="ChemIDplus"} -xref: Gmelin:241697 {source="Gmelin"} is_a: CHEBI:36336 ! naphthalenesulfonic acid is_a: CHEBI:38034 ! aminonaphthalene relationship: has_functional_parent CHEBI:10432 ! 2-naphthol relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H9NO4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RXCMFQDTWCCLBL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "239.24880" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "239.02523" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1c(O)cc(c2ccccc12)S(O)(=O)=O" xsd:string [Term] id: CHEBI:19032 @@ -2924,31 +1980,16 @@ def: "A haloalkane that is bromoethane substituted by chlorine at position 2." [ subset: 3_STAR synonym: "1,2-bromochloroethane" RELATED [NIST_Chemistry_WebBook] synonym: "1,2-chlorobromoethane" RELATED [ChemIDplus] -synonym: "1-bromo-2-chloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "2-bromo-1-chloroethane" RELATED [ChemIDplus] synonym: "2-bromoethyl chloride" RELATED [NIST_Chemistry_WebBook] synonym: "2-chloroethyl bromide" RELATED [NIST_Chemistry_WebBook] synonym: "beta-chloroethyl bromide" RELATED [NIST_Chemistry_WebBook] synonym: "ethylene chlorobromide" RELATED [ChemIDplus] -xref: Beilstein:605265 {source="Beilstein"} -xref: CAS:107-04-0 {source="NIST Chemistry WebBook"} -xref: CAS:107-04-0 {source="ChemIDplus"} -xref: Gmelin:984479 {source="Gmelin"} -xref: PMID:6357525 {source="Europe PMC"} -xref: PMID:8200089 {source="Europe PMC"} -xref: Reaxys:605265 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24469 ! haloalkane is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37141 ! organobromine compound relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4BrCl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IBYHHJPAARCAIE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "143.40986" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.91849" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCBr" xsd:string [Term] id: CHEBI:19255 @@ -2970,7 +2011,6 @@ synonym: "2,5,-bisethylene-imine-1,4-benzoquinone" RELATED [ChEBI] synonym: "2,5-bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione" RELATED [ChemIDplus] synonym: "2,5-bis(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,5-bis(1-aziridynyl)benzoquinone" RELATED [ChemIDplus] -synonym: "2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-bis(aziridino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,5-bis(aziridino)benzoquinone" RELATED [ChemIDplus] synonym: "2,5-bis(ethyleneimino)-1,4-benzoquinone" RELATED [ChemIDplus] @@ -2983,29 +2023,10 @@ synonym: "3,6-diaziridinyl-1,4-benzoquinone" RELATED [ChEBI] synonym: "DZQ" RELATED [ChEBI] synonym: "ethylenimine quinone" RELATED [ChemIDplus] synonym: "TW 13" RELATED [ChemIDplus] -xref: Beilstein:169182 {source="Beilstein"} -xref: CAS:526-62-5 {source="ChemIDplus"} -xref: PMID:10373575 {source="Europe PMC"} -xref: PMID:10978162 {source="Europe PMC"} -xref: PMID:11211879 {source="Europe PMC"} -xref: PMID:13415397 {source="Europe PMC"} -xref: PMID:17094478 {source="Europe PMC"} -xref: PMID:1751490 {source="Europe PMC"} -xref: PMID:8137269 {source="Europe PMC"} -xref: PMID:8461296 {source="Europe PMC"} -xref: PMID:9690517 {source="Europe PMC"} -xref: Reaxys:169182 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:22681 ! aziridines relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10N2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RCWJMKCTHJPXJV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "190.19868" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "190.07423" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C=C(N2CC2)C(=O)C=C1N1CC1" xsd:string [Term] id: CHEBI:194095 @@ -3013,16 +2034,8 @@ name: mitomycin C(1-) namespace: chebi_ontology subset: 2_STAR synonym: "mitomycin C" RELATED [UniProt] -xref: PMID:17461583 {source="SUBMITTER"} is_a: CHEBI:50860 ! organic molecular entity relationship: is_conjugate_base_of CHEBI:27504 ! mitomycin C -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H17N4O5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H17N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/q-1/t7-,13-,15+/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWSVZLVCDAGJHJ-QWPQFENESA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "333.325" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "333.12044" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])OC)=O)C)N)=O" xsd:string [Term] id: CHEBI:19508 @@ -3052,30 +2065,14 @@ def: "A pyrimidine having keto groups at the 2- and 4-positions and a bromo grou subset: 3_STAR synonym: "1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] synonym: "5-bromo-2,4(1H,3H)-pyrimidinedione" RELATED [NIST_Chemistry_WebBook] -synonym: "5-bromopyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "5-BrU" RELATED [ChemIDplus] synonym: "5-BU" RELATED [ChemIDplus] synonym: "bromouracil" RELATED [ChemIDplus] -xref: Beilstein:127176 {source="Beilstein"} -xref: CAS:51-20-7 {source="ChemIDplus"} -xref: CAS:51-20-7 {source="NIST Chemistry WebBook"} -xref: Gmelin:486432 {source="Gmelin"} -xref: PMID:14522043 {source="Europe PMC"} -xref: PMID:28166217 {source="Europe PMC"} -xref: PMID:28320905 {source="Europe PMC"} -xref: PMID:3950402 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:39447 ! pyrimidines is_a: CHEBI:67142 ! nucleobase analogue relationship: has_functional_parent CHEBI:17568 ! uracil relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H3BrN2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LQLQRFGHAALLLE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "190.98300" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "189.93779" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Brc1c[nH]c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:20553 @@ -3086,23 +2083,11 @@ subset: 3_STAR synonym: "1-beta-ribofuranosyl-5-bromo-uracil" RELATED [ChemIDplus] synonym: "5-bromo-1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione" RELATED [ChEBI] synonym: "5-bromouridine" EXACT [UniProt] -synonym: "5-bromouridine" EXACT IUPAC_NAME [IUPAC] synonym: "5-bromouridine" EXACT [ChEBI] synonym: "BrU" RELATED [ChEBI] -xref: Beilstein:33664 {source="Beilstein"} -xref: CAS:957-75-5 {source="ChemIDplus"} -xref: Gmelin:723432 {source="Gmelin"} -xref: PMID:3950402 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:27242 ! uridines relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11BrN2O6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AGFIRQJZCNVMCW-UAKXSSHOSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "323.09752" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "321.98005" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:20702 @@ -3119,28 +2104,14 @@ name: 7-bromomethyl-12-methyltetraphene namespace: chebi_ontology def: "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively." [] subset: 3_STAR -synonym: "7-(bromomethyl)-12-methyltetraphene" EXACT IUPAC_NAME [IUPAC] synonym: "7-BrMe-12-MeBA" RELATED [ChEBI] synonym: "7-bromomethyl-12-methylbenz[a]anthracene" RELATED [ChemIDplus] synonym: "7-bromomethyl-12-methylbenzanthracene" RELATED [ChemIDplus] -xref: Beilstein:2056479 {source="Beilstein"} -xref: CAS:16238-56-5 {source="ChemIDplus"} -xref: PMID:10838135 {source="Europe PMC"} -xref: PMID:3114533 {source="Europe PMC"} -xref: PMID:8625451 {source="Europe PMC"} -xref: Reaxys:2056479 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:37141 ! organobromine compound is_a: CHEBI:51067 ! tetraphenes relationship: has_parent_hydride CHEBI:51348 ! tetraphene relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H15Br" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H15Br/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IBWBDNBSIFGSLW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "335.23710" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "334.03571" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12" xsd:string [Term] id: CHEBI:21183 @@ -3150,19 +2121,10 @@ subset: 3_STAR synonym: "acridine mustard" RELATED [ChemIDplus] synonym: "ICR 170" RELATED [ChemIDplus] synonym: "N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochloride" RELATED [ChemIDplus] -synonym: "N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride" EXACT IUPAC_NAME [IUPAC] -xref: CAS:146-59-8 {source="ChemIDplus"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22213 ! acridines relationship: BFO:0000051 CHEBI:37594 ! has part N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine relationship: RO:0000087 CHEBI:24853 ! has role intercalator -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H27Cl4N3O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWGOWIIEVDAYTC-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "479.26950" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "477.09082" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[H].Cl[H].CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12" xsd:string [Term] id: CHEBI:21184 @@ -3171,23 +2133,13 @@ namespace: chebi_ontology subset: 3_STAR synonym: "3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" RELATED [ChemIDplus] synonym: "3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" RELATED [ChemIDplus] -synonym: "3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Janus Green B" RELATED [ChemIDplus] synonym: "Janus Green V" RELATED [ChemIDplus] -xref: Beilstein:9748061 {source="Beilstein"} -xref: CAS:2869-83-2 {source="ChemIDplus"} xref: Patent:US2882209 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:36094 ! organic chloride salt relationship: BFO:0000051 CHEBI:51070 ! has part Janus Green B cation relationship: RO:0000087 CHEBI:37958 ! has role dye -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H31ClN6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XXACTDWGHQXLGW-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "511.06028" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "510.22987" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\\N=N\\c1ccc(cc1)N(C)C" xsd:string [Term] id: CHEBI:21644 @@ -3204,7 +2156,6 @@ name: N-glycosyl compound namespace: chebi_ontology def: "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond." [] subset: 3_STAR -synonym: "glycosylamine" EXACT IUPAC_NAME [IUPAC] synonym: "glycosylamines" RELATED [IUPAC] synonym: "N-glycoside" RELATED [ChEBI] synonym: "N-glycosides" RELATED [ChEBI] @@ -3221,7 +2172,6 @@ def: "An N-nitroguanidine compound having nitroso and methyl substituents at the subset: 3_STAR synonym: "1-Methyl-1-nitroso-3-nitroguanidine" RELATED [ChemIDplus] synonym: "1-Methyl-3-nitro-1-nitrosoguanidine" RELATED [KEGG_COMPOUND] -synonym: "1-methyl-3-nitro-1-nitrosoguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "1-Nitroso-3-nitro-1-methylguanidine" RELATED [ChemIDplus] synonym: "Methylnitronitrosoguanidine" RELATED [KEGG_COMPOUND] synonym: "MNG" RELATED [ChemIDplus] @@ -3234,22 +2184,11 @@ synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChEBI] synonym: "N-Methyl-N-nitroso-N'-nitroguanidine" RELATED [ChemIDplus] synonym: "N-Methyl-N-nitrosonitroguanidin" RELATED [ChEBI] synonym: "N-Nitroso-N-methyl-N'-nitroguanidine" RELATED [ChemIDplus] -xref: Beilstein:1779490 {source="Beilstein"} -xref: CAS:70-25-7 {source="NIST Chemistry WebBook"} -xref: CAS:70-25-7 {source="KEGG COMPOUND"} -xref: CAS:70-25-7 {source="ChemIDplus"} xref: KEGG:C14592 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35800 ! nitroso compound relationship: has_functional_parent CHEBI:39179 ! nitroguanidine relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N5O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZUNGTLZRAYYDE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "147.09280" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.03924" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(N=O)C(=N)N[N+]([O-])=O" xsd:string [Term] id: CHEBI:22025 @@ -3296,7 +2235,6 @@ def: "An organic group formed by removing one or more hydroxy groups from an oxo subset: 3_STAR synonym: "acyl group" EXACT [IUPAC] synonym: "acyl groups" RELATED [ChEBI] -synonym: "alkanoyl" EXACT IUPAC_NAME [IUPAC] synonym: "alkanoyl group" RELATED [ChEBI] synonym: "groupe acyle" RELATED [IUPAC] is_a: CHEBI:33247 ! organic group @@ -3307,7 +2245,6 @@ name: alkali metal atom namespace: chebi_ontology subset: 3_STAR synonym: "alkali metal" RELATED [ChEBI] -synonym: "alkali metals" EXACT IUPAC_NAME [IUPAC] synonym: "Alkalimetall" RELATED [ChEBI] synonym: "Alkalimetalle" RELATED [ChEBI] synonym: "metal alcalin" RELATED [ChEBI] @@ -3328,7 +2265,6 @@ synonym: "alcaloide" RELATED [ChEBI] synonym: "alcaloides" RELATED [ChEBI] synonym: "Alkaloid" EXACT [ChEBI] synonym: "Alkaloide" RELATED [ChEBI] -synonym: "alkaloids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Alkaloid is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35352 ! organonitrogen compound @@ -3340,8 +2276,6 @@ name: alkyl group namespace: chebi_ontology def: "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." [] subset: 3_STAR -synonym: "alkyl group" EXACT IUPAC_NAME [IUPAC] -synonym: "alkyl groups" EXACT IUPAC_NAME [IUPAC] synonym: "groupe alkyle" RELATED [IUPAC] synonym: "grupo alquilo" RELATED [IUPAC] synonym: "grupos alquilo" RELATED [IUPAC] @@ -3380,14 +2314,9 @@ name: aminobenzoic acid namespace: chebi_ontology subset: 3_STAR synonym: "Aminobenzoesaeure" RELATED [ChEBI] -synonym: "aminobenzoic acid" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:22723 ! benzoic acids is_a: CHEBI:33856 ! aromatic amino acid relationship: is_conjugate_acid_of CHEBI:22494 ! aminobenzoate -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "137.136" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.04768" xsd:string [Term] id: CHEBI:22526 @@ -3399,22 +2328,10 @@ synonym: "4-aminofolic acid" EXACT [ChemIDplus] synonym: "4-aminopteroylglutamic acid" RELATED [ChemIDplus] synonym: "aminopterin" RELATED [ChemIDplus] synonym: "N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid" RELATED [ChemIDplus] -synonym: "N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:69045 {source="Beilstein"} -xref: CAS:54-62-6 {source="ChemIDplus"} -xref: Drug_Central:21 {source="DrugCentral"} -xref: PMID:18789931 {source="Europe PMC"} is_a: CHEBI:35692 ! dicarboxylic acid relationship: has_functional_parent CHEBI:27470 ! folic acid relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:50683 ! has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H20N8O5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVZGACDUOSZQKY-LBPRGKRZSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "440.41302" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "440.15567" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1" xsd:string [Term] id: CHEBI:22527 @@ -3432,7 +2349,6 @@ namespace: chebi_ontology def: "A monoatomic or polyatomic species having one or more elementary charges of the electron." [] subset: 3_STAR synonym: "Anion" EXACT [ChEBI] -synonym: "anion" EXACT IUPAC_NAME [IUPAC] synonym: "anion" EXACT [ChEBI] synonym: "Anionen" RELATED [ChEBI] synonym: "aniones" RELATED [ChEBI] @@ -3479,7 +2395,6 @@ def: "A molecular entity having an available pair of electrons capable of formin subset: 3_STAR synonym: "Base" EXACT [ChEBI] synonym: "base" EXACT [ChEBI] -synonym: "base" EXACT IUPAC_NAME [IUPAC] synonym: "Base1" RELATED [KEGG_COMPOUND] synonym: "Base2" RELATED [KEGG_COMPOUND] synonym: "Basen" RELATED [ChEBI] @@ -3547,7 +2462,6 @@ id: CHEBI:22744 name: benzyl group namespace: chebi_ontology subset: 3_STAR -synonym: "benzyl" EXACT IUPAC_NAME [IUPAC] synonym: "Bn" RELATED [ChEBI] synonym: "C6H5-CH2-" RELATED [IUPAC] synonym: "phenylalanine side-chain" RELATED [ChEBI] @@ -3555,11 +2469,6 @@ synonym: "phenylmethyl" RELATED [IUPAC] is_a: CHEBI:33452 ! benzylic group is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group relationship: is_substituent_group_from CHEBI:17578 ! toluene -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H7" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "91.13048" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "91.05478" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=C(C=CC=C1)C*" xsd:string [Term] id: CHEBI:22908 @@ -3569,21 +2478,11 @@ subset: 3_STAR synonym: "(BO3)3-" RELATED [ChEBI] synonym: "[BO3](3-)" RELATED [IUPAC] synonym: "BO3(3-)" RELATED [IUPAC] -synonym: "borate" EXACT IUPAC_NAME [IUPAC] synonym: "borate ion" RELATED [ChEBI] -synonym: "trioxidoborate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxoborate(3-) ion" RELATED [ChEBI] synonym: "trioxoborate(III) anion" RELATED [ChEBI] -xref: Gmelin:164057 {source="Gmelin"} is_a: CHEBI:22909 ! borate ion relationship: is_conjugate_base_of CHEBI:29255 ! hydrogenborate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "BO3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BO3/c2-1(3)4/q-3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BTBUEUYNUDRHOZ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "58.80920" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.99569" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]B([O-])[O-]" xsd:string [Term] id: CHEBI:22909 @@ -3629,7 +2528,6 @@ synonym: "35Br" RELATED [IUPAC] synonym: "Br" RELATED [ChEBI] synonym: "Brom" RELATED [ChEBI] synonym: "brome" RELATED [ChEBI] -synonym: "bromine" EXACT IUPAC_NAME [IUPAC] synonym: "bromine" RELATED [ChEBI] synonym: "bromo" RELATED [ChEBI] synonym: "bromum" RELATED [ChEBI] @@ -3637,13 +2535,6 @@ xref: WebElements:Br is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24473 ! halogen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Br" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Br" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WKBOTKDWSSQWDR-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "79.90400" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br]" xsd:string [Term] id: CHEBI:22928 @@ -3697,18 +2588,11 @@ subset: 3_STAR synonym: "-C(O)NH2" RELATED [ChEBI] synonym: "-CONH2" RELATED [IUPAC] synonym: "aminocarbonyl" RELATED [IUPAC] -synonym: "carbamoyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbamyl" RELATED [ChEBI] synonym: "carbamyl group" RELATED [ChEBI] synonym: "carboxamide" RELATED [IUPAC] -xref: PMID:24168430 {source="Europe PMC"} is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:28616 ! carbamic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2NO" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.03272" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.01364" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(N)=O" xsd:string [Term] id: CHEBI:23019 @@ -3716,15 +2600,9 @@ name: carbonyl group namespace: chebi_ontology subset: 3_STAR synonym: ">C=O" RELATED [IUPAC] -synonym: "carbonyl" EXACT IUPAC_NAME [IUPAC] synonym: "carbonyl group" EXACT [ChEBI] synonym: "carbonyl group" EXACT [UniProt] is_a: CHEBI:51422 ! organodiyl group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(*)*" xsd:string [Term] id: CHEBI:23092 @@ -3755,7 +2633,6 @@ subset: 3_STAR synonym: "17Cl" RELATED [IUPAC] synonym: "Chlor" RELATED [ChEBI] synonym: "chlore" RELATED [ChEBI] -synonym: "chlorine" EXACT IUPAC_NAME [IUPAC] synonym: "chlorine" RELATED [ChEBI] synonym: "chlorum" RELATED [ChEBI] synonym: "Cl" RELATED [IUPAC] @@ -3764,13 +2641,6 @@ xref: WebElements:Cl is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24473 ! halogen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZAMOUSCENKQFHK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "35.45270" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl]" xsd:string [Term] id: CHEBI:23117 @@ -3808,7 +2678,6 @@ namespace: chebi_ontology def: "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group)." [] subset: 3_STAR synonym: "cofactor" EXACT [IUPAC] -synonym: "cofactors" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Cofactor_(biochemistry) is_a: CHEBI:52206 ! biochemical role @@ -3818,30 +2687,15 @@ name: colchicine namespace: chebi_ontology def: "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum." [] subset: 3_STAR -synonym: "N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:2228812 {source="Beilstein"} -xref: CAS:54192-66-4 {source="NIST Chemistry WebBook"} xref: DrugBank:DB01394 xref: HMDB:HMDB0015466 xref: LINCS:LSM-6449 -xref: PMID:10680067 {source="Europe PMC"} -xref: PMID:24074178 {source="Europe PMC"} -xref: PMID:7200520 {source="Europe PMC"} -xref: PMID:9819133 {source="Europe PMC"} -xref: Reaxys:2228812 {source="Reaxys"} is_a: CHEBI:22160 ! acetamides is_a: CHEBI:22315 ! alkaloid is_a: CHEBI:35618 ! aromatic ether is_a: CHEBI:38032 ! carbotricyclic compound relationship: RO:0000087 CHEBI:61951 ! has role microtubule-destabilising agent relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H25NO6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAKHMKGGTNLKSZ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "399.43704" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.16819" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC" xsd:string [Term] id: CHEBI:23367 @@ -3853,7 +2707,6 @@ synonym: "entidad molecular" RELATED [IUPAC] synonym: "entidades moleculares" RELATED [IUPAC] synonym: "entite moleculaire" RELATED [IUPAC] synonym: "molecular entities" RELATED [IUPAC] -synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "molekulare Entitaet" RELATED [ChEBI] is_a: CHEBI:24431 ! chemical entity @@ -3873,16 +2726,12 @@ id: CHEBI:23378 name: copper cation namespace: chebi_ontology subset: 3_STAR -synonym: "copper cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper cations" RELATED [ChEBI] synonym: "Cu cation" RELATED [UniProt] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33515 ! transition element cation is_a: CHEBI:37404 ! elemental copper relationship: RO:0000087 CHEBI:23357 ! has role cofactor -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "63.546" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92960" xsd:string [Term] id: CHEBI:23414 @@ -3891,19 +2740,11 @@ namespace: chebi_ontology def: "A metal sulfate compound having copper(2+) as the metal ion." [] subset: 3_STAR synonym: "copper sulfate" RELATED [ChemIDplus] -synonym: "copper(2+) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Copper(II) sulfate" EXACT [KEGG_COMPOUND] -synonym: "copper(II) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Cupric sulfate" RELATED [ChemIDplus] synonym: "cupric sulfate anhydrous" RELATED [ChemIDplus] synonym: "CuSO4" RELATED [IUPAC] -xref: CAS:7758-98-7 {source="ChemIDplus"} -xref: CAS:7758-98-7 {source="KEGG COMPOUND"} -xref: Gmelin:8294 {source="Gmelin"} xref: KEGG:C18713 -xref: PMID:10469300 {source="Europe PMC"} -xref: PMID:29079364 {source="Europe PMC"} -xref: PMID:8566016 {source="Europe PMC"} xref: PPDB:178 xref: Wikipedia:Copper(II)_sulfate is_a: BFO:0000004 ! independent continuant @@ -3912,13 +2753,6 @@ relationship: BFO:0000051 CHEBI:29036 ! has part copper(2+) relationship: RO:0000087 CHEBI:139492 ! has role sensitiser relationship: RO:0000087 CHEBI:149552 ! has role emetic relationship: RO:0000087 CHEBI:33287 ! has role fertilizer -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CuO4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARUVKPQLZAKDPS-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "159.60960" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "158.88133" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu++].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:23509 @@ -3950,7 +2784,6 @@ synonym: "1,2:3,4-butadiene diepoxide" RELATED [ChemIDplus] synonym: "1,2:3,4-dianhydrothreitol" RELATED [NIST_Chemistry_WebBook] synonym: "1,2:3,4-diepoxybutane" RELATED [ChemIDplus] synonym: "1,3-butadiene diepoxide" RELATED [NIST_Chemistry_WebBook] -synonym: "2,2'-bioxirane" EXACT IUPAC_NAME [IUPAC] synonym: "bioxirane" RELATED [NIST_Chemistry_WebBook] synonym: "Butadiendioxyd" RELATED [ChemIDplus] synonym: "butadiene diepoxide" RELATED [NIST_Chemistry_WebBook] @@ -3958,19 +2791,9 @@ synonym: "butadiene dioxide" RELATED [NIST_Chemistry_WebBook] synonym: "butane diepoxide" RELATED [NIST_Chemistry_WebBook] synonym: "DEB" RELATED [NIST_Chemistry_WebBook] synonym: "dioxybutadiene" RELATED [ChemIDplus] -xref: Beilstein:79831 {source="Beilstein"} -xref: CAS:1464-53-5 {source="NIST Chemistry WebBook"} -xref: CAS:1464-53-5 {source="ChemIDplus"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32955 ! epoxide relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFIVKAOQEXOYFY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "86.08924" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.03678" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1OC1C1CO1" xsd:string [Term] id: CHEBI:23705 @@ -3981,21 +2804,10 @@ synonym: "1,2,7,8-Diepoxyoctane" RELATED [ChemIDplus] synonym: "1,2-Epoxy-7,8-epoxyoctane" RELATED [ChemIDplus] synonym: "1,7-Octadiene diepoxide" RELATED [ChemIDplus] synonym: "2,2'-(1,4-Butanediyl)bisoxirane" RELATED [ChemIDplus] -synonym: "2,2'-butane-1,4-diyldioxirane" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:104873 {source="Beilstein"} -xref: CAS:2426-07-5 {source="ChemIDplus"} -xref: CAS:2426-07-5 {source="NIST Chemistry WebBook"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32955 ! epoxide relationship: has_parent_hydride CHEBI:17590 ! octane relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H14O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LFKLPJRVSHJZPL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "142.19556" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.09938" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCC1CO1)CC1CO1" xsd:string [Term] id: CHEBI:23824 @@ -4003,7 +2815,6 @@ name: diol namespace: chebi_ontology def: "A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols." [] subset: 3_STAR -synonym: "diols" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Diol is_a: CHEBI:26191 ! polyol @@ -4041,7 +2852,6 @@ name: enzyme inhibitor namespace: chebi_ontology def: "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction." [] subset: 3_STAR -synonym: "enzyme inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "enzyme inhibitors" RELATED [ChEBI] synonym: "inhibidor enzimatico" RELATED [ChEBI] synonym: "inhibidores enzimaticos" RELATED [ChEBI] @@ -4061,20 +2871,7 @@ synonym: "ethyl mesylate" RELATED [ChemIDplus] synonym: "ethyl methanesulphonate" RELATED [ChemIDplus] synonym: "methylsulfonic acid ethyl ester" RELATED [ChemIDplus] synonym: "methylsulfonic acid, ethyl ester" RELATED [ChemIDplus] -xref: CAS:62-50-0 {source="KEGG COMPOUND"} -xref: CAS:62-50-0 {source="ChemIDplus"} -xref: CAS:62-50-0 {source="NIST Chemistry WebBook"} xref: KEGG:C19239 -xref: PMID:16039156 {source="Europe PMC"} -xref: PMID:19797863 {source="Europe PMC"} -xref: PMID:20102787 {source="Europe PMC"} -xref: PMID:24475756 {source="Europe PMC"} -xref: PMID:24524729 {source="Europe PMC"} -xref: PMID:24531730 {source="Europe PMC"} -xref: PMID:24728647 {source="Europe PMC"} -xref: PMID:6936603 {source="Europe PMC"} -xref: PMID:7285888 {source="Europe PMC"} -xref: Reaxys:773969 {source="Reaxys"} xref: Wikipedia:Ethyl_methanesulfonate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25223 ! methanesulfonate ester @@ -4082,13 +2879,6 @@ relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:50905 ! has role teratogenic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PLUBXMRUUVWRLT-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "124.15900" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.01942" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOS(C)(=O)=O" xsd:string [Term] id: CHEBI:23995 @@ -4098,7 +2888,6 @@ def: "A member of the class of N-nitrosoureas that is urea in which one of the n subset: 3_STAR synonym: "1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] synonym: "1-Ethyl-1-nitrosourea" RELATED [ChemIDplus] -synonym: "1-ethyl-1-nitrosourea" EXACT IUPAC_NAME [IUPAC] synonym: "Aethylnitroso-harnstoff" RELATED [ChemIDplus] synonym: "ENU" RELATED [ChemIDplus] synonym: "Ethyl nitrosourea" RELATED [ChemIDplus] @@ -4106,34 +2895,12 @@ synonym: "N-Ethyl-N-nitroso carbamide" RELATED [ChemIDplus] synonym: "N-Ethyl-N-nitroso-urea" RELATED [ChemIDplus] synonym: "N-Ethylnitrosourea" RELATED [ChemIDplus] synonym: "NEU" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1761174 {source="Beilstein"} -xref: CAS:759-73-9 {source="NIST Chemistry WebBook"} -xref: CAS:759-73-9 {source="ChemIDplus"} -xref: CAS:759-73-9 {source="KEGG COMPOUND"} xref: KEGG:C19178 -xref: PMID:11732210 {source="Europe PMC"} -xref: PMID:11853764 {source="Europe PMC"} -xref: PMID:11880538 {source="Europe PMC"} -xref: PMID:16423555 {source="Europe PMC"} -xref: PMID:21861612 {source="Europe PMC"} -xref: PMID:22012195 {source="Europe PMC"} -xref: PMID:22238669 {source="Europe PMC"} -xref: PMID:23551873 {source="Europe PMC"} -xref: PMID:24175309 {source="Europe PMC"} -xref: PMID:8603364 {source="Europe PMC"} -xref: Reaxys:1761174 {source="Reaxys"} xref: Wikipedia:ENU is_a: BFO:0000004 ! independent continuant is_a: CHEBI:76551 ! N-nitrosoureas relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7N3O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUSGACRLAFQQRL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "117.10660" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.05383" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(N=O)C(N)=O" xsd:string [Term] id: CHEBI:23996 @@ -4164,21 +2931,12 @@ synonym: "9F" RELATED [IUPAC] synonym: "F" RELATED [IUPAC] synonym: "Fluor" RELATED [ChemIDplus] synonym: "fluor" RELATED [ChEBI] -synonym: "fluorine" EXACT IUPAC_NAME [IUPAC] synonym: "fluorine" RELATED [ChEBI] synonym: "fluorum" RELATED [ChEBI] -xref: CAS:7782-41-4 {source="ChemIDplus"} xref: WebElements:F is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24473 ! halogen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCKRFDGAMUMZLT-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F]" xsd:string [Term] id: CHEBI:24062 @@ -4207,7 +2965,6 @@ namespace: chebi_ontology def: "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class." [] subset: 3_STAR synonym: "glutamine family amino acids" RELATED [ChEBI] -xref: PMID:20716061 {source="Europe PMC"} is_a: CHEBI:15705 ! L-alpha-amino acid is_a: CHEBI:83813 ! proteinogenic amino acid @@ -4241,7 +2998,6 @@ name: glycoside namespace: chebi_ontology def: "A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively." [] subset: 3_STAR -synonym: "glycosides" EXACT IUPAC_NAME [IUPAC] synonym: "glycosides" RELATED [ChEBI] synonym: "O-glycoside" RELATED [ChEBI] synonym: "O-glycosides" RELATED [ChEBI] @@ -4270,7 +3026,6 @@ name: group namespace: chebi_ontology def: "A defined linked collection of atoms or a single atom within a molecular entity." [] subset: 3_STAR -synonym: "group" EXACT IUPAC_NAME [IUPAC] synonym: "groupe" RELATED [IUPAC] synonym: "grupo" RELATED [IUPAC] synonym: "grupos" RELATED [IUPAC] @@ -4327,13 +3082,11 @@ namespace: chebi_ontology subset: 3_STAR synonym: "group 17 elements" RELATED [ChEBI] synonym: "group VII elements" RELATED [ChEBI] -synonym: "halogen" EXACT IUPAC_NAME [IUPAC] synonym: "Halogene" RELATED [ChEBI] synonym: "halogene" RELATED [ChEBI] synonym: "halogenes" RELATED [ChEBI] synonym: "halogeno" RELATED [ChEBI] synonym: "halogenos" RELATED [ChEBI] -synonym: "halogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33560 ! p-block element atom @@ -4356,30 +3109,12 @@ namespace: chebi_ontology subset: 3_STAR synonym: "2,4,6-tris(dimethylamino)-1,3,5-triazine" RELATED [ChemIDplus] synonym: "2,4,6-tris(dimethylamino)-s-triazine" RELATED [NIST_Chemistry_WebBook] -synonym: "altretamina" RELATED INN [ChemIDplus] -synonym: "altretamine" RELATED INN [ChemIDplus] -synonym: "altretaminum" RELATED INN [ChemIDplus] -synonym: "Hexalen" RELATED BRAND_NAME [ChemIDplus] -synonym: "Hexastat" RELATED BRAND_NAME [ChemIDplus] synonym: "HMM" RELATED [ChemIDplus] -synonym: "N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:195058 {source="Beilstein"} -xref: CAS:645-05-6 {source="ChemIDplus"} -xref: CAS:645-05-6 {source="NIST Chemistry WebBook"} -xref: Drug_Central:141 {source="DrugCentral"} -xref: Gmelin:603940 {source="Gmelin"} xref: LINCS:LSM-3492 xref: Patent:DE1240870 xref: Patent:US3424752 xref: Wikipedia:Altretamine is_a: CHEBI:38175 ! triamino-1,3,5-triazine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H18N6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UUVWYPNAQBNQJQ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "210.27966" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.15929" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)c1nc(nc(n1)N(C)C)N(C)C" xsd:string [Term] id: CHEBI:24565 @@ -4397,27 +3132,14 @@ synonym: "HMPA" RELATED [ChemIDplus] synonym: "HMPA" RELATED [KEGG_COMPOUND] synonym: "HMPT" RELATED [ChemIDplus] synonym: "HMPTA" RELATED [ChemIDplus] -synonym: "N,N,N',N',N'',N''-hexamethylphosphoric triamide" EXACT IUPAC_NAME [IUPAC] synonym: "phosphoric acid hexamethyltriamide" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoric hexamethyltriamide" RELATED [NIST_Chemistry_WebBook] synonym: "phosphoric tris(dimethylamide)" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1099903 {source="Beilstein"} -xref: CAS:680-31-9 {source="ChemIDplus"} -xref: CAS:680-31-9 {source="NIST Chemistry WebBook"} -xref: CAS:680-31-9 {source="KEGG COMPOUND"} -xref: Gmelin:3259 {source="Gmelin"} xref: KEGG:C19250 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:17102 ! phosphoramide relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:67105 ! has role insect sterilant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H18N3OP" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNOIPBMMFNIUFM-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "179.20050" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.11875" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)P(=O)(N(C)C)N(C)C" xsd:string [Term] id: CHEBI:24624 @@ -4425,8 +3147,6 @@ name: hycanthone mesylate namespace: chebi_ontology def: "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel." [] subset: 3_STAR -synonym: "1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-10H-dibenzo[b,e]thiopyran-10-one methanesulfonate" EXACT IUPAC_NAME [IUPAC] -synonym: "Etrenol" RELATED BRAND_NAME [ChEBI] synonym: "hycanthone methanesulfonate" RELATED [ChemIDplus] synonym: "hycanthone methanesulphonate" RELATED [ChemIDplus] synonym: "hycanthone monomesylate" RELATED [ChEBI] @@ -4434,31 +3154,12 @@ synonym: "hycanthone monomethanesulfonate" RELATED [ChemIDplus] synonym: "hycanthone monomethanesulphonate" RELATED [ChemIDplus] synonym: "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate" RELATED [IUPAC] synonym: "N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate" RELATED [ChEBI] -xref: CAS:23255-93-8 {source="ChemIDplus"} -xref: CAS:23255-93-8 {source="KEGG COMPOUND"} xref: KEGG:C19432 -xref: PMID:1206768 {source="Europe PMC"} -xref: PMID:1618027 {source="Europe PMC"} -xref: PMID:2266978 {source="Europe PMC"} -xref: PMID:2499511 {source="Europe PMC"} -xref: PMID:2503417 {source="Europe PMC"} -xref: PMID:3104567 {source="Europe PMC"} -xref: PMID:6408464 {source="Europe PMC"} -xref: PMID:6815525 {source="Europe PMC"} -xref: PMID:8375330 {source="Europe PMC"} -xref: Reaxys:4096157 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:38037 ! methanesulfonate salt relationship: BFO:0000051 CHEBI:67141 ! has part hycanthone(1+) relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:38941 ! has role schistosomicide drug -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H28N2O5S2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LOEQGPPJCCUXEJ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "452.58700" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "452.14396" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(O)(=O)=O.CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12" xsd:string [Term] id: CHEBI:24632 @@ -4468,8 +3169,6 @@ def: "A compound consisting of carbon and hydrogen only." [] subset: 3_STAR synonym: "hidrocarburo" RELATED [IUPAC] synonym: "hidrocarburos" RELATED [IUPAC] -synonym: "hydrocarbon" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "hydrocarbure" RELATED [IUPAC] synonym: "Kohlenwasserstoff" RELATED [ChEBI] synonym: "Kohlenwasserstoffe" RELATED [ChEBI] @@ -4487,11 +3186,6 @@ synonym: "a 1,4-benzoquinol" RELATED [ChEBI] synonym: "a quinol" RELATED [UniProt] synonym: "benzene-1,4-diols" RELATED [ChEBI] is_a: CHEBI:33570 ! benzenediols -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H2O2R4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "106.079" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "106.00548" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=C(*)C(*)=C(O)C(*)=C1*" xsd:string [Term] id: CHEBI:24651 @@ -4533,8 +3227,6 @@ subset: 3_STAR synonym: "oxacids" RELATED [ChEBI] synonym: "oxiacids" RELATED [ChEBI] synonym: "oxo acid" RELATED [ChEBI] -synonym: "oxoacid" EXACT IUPAC_NAME [IUPAC] -synonym: "oxoacids" EXACT IUPAC_NAME [IUPAC] synonym: "oxy-acids" RELATED [ChEBI] synonym: "oxyacids" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant @@ -4625,7 +3317,6 @@ synonym: "53I" RELATED [IUPAC] synonym: "I" RELATED [ChEBI] synonym: "Iod" RELATED [ChEBI] synonym: "iode" RELATED [ChEBI] -synonym: "iodine" EXACT IUPAC_NAME [IUPAC] synonym: "iodine" RELATED [ChEBI] synonym: "iodium" RELATED [ChEBI] synonym: "J" RELATED [ChEBI] @@ -4636,13 +3327,6 @@ is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24473 ! halogen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "I" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/I" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCYVEMRRCGMTRW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "126.90447" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90447" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[I]" xsd:string [Term] id: CHEBI:24866 @@ -4654,7 +3338,6 @@ synonym: "ionic compound" RELATED [ChEBI] synonym: "ionic compounds" RELATED [ChEBI] synonym: "sal" RELATED [ChEBI] synonym: "sales" RELATED [ChEBI] -synonym: "salt" EXACT IUPAC_NAME [IUPAC] synonym: "salts" RELATED [ChEBI] synonym: "Salz" RELATED [ChEBI] synonym: "Salze" RELATED [ChEBI] @@ -4689,7 +3372,6 @@ namespace: chebi_ontology def: "A molecular entity having a net electric charge." [] subset: 3_STAR synonym: "Ion" EXACT [ChEBI] -synonym: "ion" EXACT IUPAC_NAME [IUPAC] synonym: "ion" EXACT [ChEBI] synonym: "Ionen" RELATED [ChEBI] synonym: "iones" RELATED [ChEBI] @@ -4713,7 +3395,6 @@ alt_id: CHEBI:26619 alt_id: CHEBI:35220 def: "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." [] subset: 3_STAR -synonym: "metabolite" EXACT IUPAC_NAME [IUPAC] synonym: "metabolites" RELATED [ChEBI] synonym: "primary metabolites" RELATED [ChEBI] synonym: "secondary metabolites" RELATED [ChEBI] @@ -4740,11 +3421,6 @@ synonym: "mesylate esters" RELATED [ChEBI] synonym: "methanesulfonic acid esters" RELATED [ChEBI] is_a: CHEBI:48544 ! methanesulfonates is_a: CHEBI:83347 ! organosulfonic ester -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O3SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "95.099" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.98029" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(O*)(=O)=O" xsd:string [Term] id: CHEBI:25224 @@ -4752,39 +3428,20 @@ name: methanesulfonate namespace: chebi_ontology def: "A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid." [] subset: 3_STAR -synonym: "methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "methanesulfonate" EXACT [UniProt] synonym: "methylsulfonate" RELATED [UM-BBD] xref: MetaCyc:CPD-3746 -xref: UM-BBD_compID:c0347 {source="UM-BBD"} is_a: CHEBI:62081 ! 1,1-diunsubstituted alkanesulfonate relationship: is_conjugate_base_of CHEBI:27376 ! methanesulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFVFQIVMOAPDHO-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "95.09872" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.98084" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS([O-])(=O)=O" xsd:string [Term] id: CHEBI:25234 name: 1-methoxy-N-nitrosodiethylamine namespace: chebi_ontology subset: 3_STAR -synonym: "N-ethyl-1-methoxy-N-nitrosoethanamine" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:4368978 {source="ChemIDplus"} -xref: CAS:61738-03-2 {source="ChemIDplus"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35803 ! nitrosamine relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c1-4-7(6-8)5(2)9-3/h5H,4H2,1-3H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCUKVUVLSDGDEZ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "132.16106" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.08988" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(N=O)C(C)OC" xsd:string [Term] id: CHEBI:25240 @@ -4806,36 +3463,16 @@ synonym: "as-Dimethyl sulfite" RELATED [ChemIDplus] synonym: "CB1540" RELATED [ChEBI] synonym: "Methanesulfonic acid methyl ester" RELATED [ChemIDplus] synonym: "Methyl mesylate" RELATED [ChemIDplus] -synonym: "methyl methanesulfonate" EXACT IUPAC_NAME [IUPAC] synonym: "MMS" RELATED [KEGG_COMPOUND] synonym: "MMS" RELATED [ChemIDplus] -xref: CAS:66-27-3 {source="ChemIDplus"} -xref: CAS:66-27-3 {source="KEGG COMPOUND"} xref: KEGG:C19181 xref: MetaCyc:CPD-7038 -xref: PMID:11016630 {source="Europe PMC"} -xref: PMID:14761437 {source="Europe PMC"} -xref: PMID:16764919 {source="Europe PMC"} -xref: PMID:21353429 {source="Europe PMC"} -xref: PMID:21860482 {source="Europe PMC"} -xref: PMID:22907509 {source="Europe PMC"} -xref: PMID:23117069 {source="Europe PMC"} -xref: PMID:23384783 {source="Europe PMC"} -xref: PMID:23483329 {source="Europe PMC"} -xref: Reaxys:1098586 {source="Reaxys"} xref: Wikipedia:Methyl_methanesulfonate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25223 ! methanesulfonate ester relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:68495 ! has role apoptosis inducer -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MBABOKRGFJTBAE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "110.13200" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.00377" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COS(C)(=O)=O" xsd:string [Term] id: CHEBI:25348 @@ -4853,7 +3490,6 @@ namespace: chebi_ontology def: "A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae." [] subset: 3_STAR synonym: "mitomycins" RELATED [ChEBI] -xref: PMID:19777135 {source="Europe PMC"} xref: Wikipedia:Mitomycin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23003 ! carbamate ester @@ -4901,9 +3537,6 @@ subset: 3_STAR synonym: "monoatomic monocations" RELATED [ChEBI] synonym: "monovalent inorganic cations" RELATED [ChEBI] is_a: CHEBI:23906 ! monoatomic cation -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*+]" xsd:string [Term] id: CHEBI:25434 @@ -4912,7 +3545,6 @@ namespace: chebi_ontology def: "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention." [] subset: 3_STAR synonym: "1,1'-thiobis(2-chloroethane)" RELATED [NIST_Chemistry_WebBook] -synonym: "1-chloro-2-[(2-chloroethyl)sulfanyl]ethane" EXACT IUPAC_NAME [IUPAC] synonym: "1-chloro-2-[(2-chloroethyl)thio]ethane" RELATED [IUPAC] synonym: "bis(2-chloroethyl) sulfide" EXACT [ChemIDplus] synonym: "bis(2-chloroethyl) sulphide" RELATED [NIST_Chemistry_WebBook] @@ -4924,19 +3556,7 @@ synonym: "mustard gas" RELATED [ChemIDplus] synonym: "Senfgas" RELATED [NIST_Chemistry_WebBook] synonym: "sulfur mustard" RELATED [ChemIDplus] synonym: "Yperite" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1733595 {source="ChemIDplus"} -xref: CAS:505-60-2 {source="ChemIDplus"} -xref: CAS:505-60-2 {source="KEGG COMPOUND"} -xref: CAS:505-60-2 {source="NIST Chemistry WebBook"} -xref: Gmelin:324535 {source="Gmelin"} xref: KEGG:C19164 -xref: PMID:15908294 {source="Europe PMC"} -xref: PMID:19559099 {source="Europe PMC"} -xref: PMID:23091586 {source="Europe PMC"} -xref: PMID:24467472 {source="Europe PMC"} -xref: PMID:24641121 {source="Europe PMC"} -xref: PMID:24791566 {source="Europe PMC"} -xref: PMID:24801489 {source="Europe PMC"} xref: Wikipedia:Sulfur_mustard is_a: BFO:0000004 ! independent continuant is_a: CHEBI:23996 ! ethyl sulfide @@ -4944,13 +3564,6 @@ is_a: CHEBI:36683 ! organochlorine compound relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:78592 ! has role vesicant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8Cl2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QKSKPIVNLNLAAV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "159.07772" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.97238" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCSCCCl" xsd:string [Term] id: CHEBI:25435 @@ -5006,7 +3619,6 @@ subset: 3_STAR synonym: "7N" RELATED [IUPAC] synonym: "azote" RELATED [IUPAC] synonym: "N" RELATED [IUPAC] -synonym: "nitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen" RELATED [ChEBI] synonym: "nitrogeno" RELATED [ChEBI] synonym: "Stickstoff" RELATED [ChEBI] @@ -5015,10 +3627,6 @@ is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "14.007" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string [Term] id: CHEBI:25585 @@ -5031,7 +3639,6 @@ synonym: "no metal" RELATED [ChEBI] synonym: "no metales" RELATED [ChEBI] synonym: "non-metal" RELATED [ChEBI] synonym: "non-metaux" RELATED [ChEBI] -synonym: "nonmetal" EXACT IUPAC_NAME [IUPAC] synonym: "nonmetal" RELATED [ChEBI] synonym: "nonmetals" RELATED [ChEBI] is_a: CHEBI:33250 ! atom @@ -5071,15 +3678,8 @@ name: ether namespace: chebi_ontology def: "An organooxygen compound with formula ROR, where R is not hydrogen." [] subset: 3_STAR -synonym: "ether" EXACT IUPAC_NAME [IUPAC] -synonym: "ethers" EXACT IUPAC_NAME [IUPAC] synonym: "ethers" RELATED [ChEBI] is_a: CHEBI:36963 ! organooxygen compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "OR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]O[*]" xsd:string [Term] id: CHEBI:25699 @@ -5119,7 +3719,6 @@ subset: 3_STAR synonym: "8O" RELATED [IUPAC] synonym: "O" RELATED [IUPAC] synonym: "oxigeno" RELATED [ChEBI] -synonym: "oxygen" EXACT IUPAC_NAME [IUPAC] synonym: "oxygen" RELATED [ChEBI] synonym: "oxygene" RELATED [ChEBI] synonym: "Sauerstoff" RELATED [ChEBI] @@ -5129,13 +3728,6 @@ is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVGXLLKOCUKJST-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]" xsd:string [Term] id: CHEBI:25806 @@ -5190,21 +3782,11 @@ id: CHEBI:25818 name: 4-(2-aminoethyl)-N,N-bis(2-chloroethyl)aniline namespace: chebi_ontology subset: 3_STAR -synonym: "4-(2-aminoethyl)-N,N-bis(2-chloroethyl)aniline" EXACT IUPAC_NAME [IUPAC] synonym: "4-(bis(2-chloroethyl)amino)benzeneethanamine" RELATED [ChemIDplus] synonym: "CB 3034" RELATED [ChemIDplus] synonym: "p-(bis(2-chloroethyl)amino)phenethylamine" RELATED [ChemIDplus] synonym: "p-N,N-di-(2-chloroethyl)aminophenylethylamine" RELATED [ChemIDplus] -xref: Beilstein:3292665 {source="ChemIDplus"} -xref: CAS:58880-18-5 {source="ChemIDplus"} is_a: CHEBI:36683 ! organochlorine compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18Cl2N2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H18Cl2N2/c13-6-9-16(10-7-14)12-3-1-11(2-4-12)5-8-15/h1-4H,5-10,15H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJKCNYLAFQAJDD-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "261.19020" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "260.08470" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1ccc(cc1)N(CCCl)CCCl" xsd:string [Term] id: CHEBI:25829 @@ -5233,7 +3815,6 @@ def: "A chemically diverse class of peptides that exhibit antimicrobial properti subset: 3_STAR synonym: "peptide antibiotics" RELATED [ChEBI] xref: MetaCyc:Peptide-Antibiotics -xref: PMID:33398258 {source="Europe PMC"} is_a: CHEBI:16670 ! peptide relationship: RO:0000087 CHEBI:33281 ! has role antimicrobial agent @@ -5243,7 +3824,6 @@ name: pesticide namespace: chebi_ontology def: "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests." [] subset: 3_STAR -synonym: "pesticide" EXACT IUPAC_NAME [IUPAC] synonym: "pesticides" RELATED [ChEBI] synonym: "Pestizid" RELATED [ChEBI] synonym: "Pestizide" RELATED [ChEBI] @@ -5286,28 +3866,10 @@ synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] synonym: "phosphoric acid" EXACT [IUPAC] synonym: "Phosphorsaeure" RELATED [ChEBI] synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] -synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] -synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] -synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:1921286 {source="Beilstein"} -xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} -xref: CAS:7664-38-2 {source="KEGG COMPOUND"} -xref: CAS:7664-38-2 {source="ChemIDplus"} -xref: Drug_Central:4478 {source="DrugCentral"} -xref: Gmelin:2000 {source="Gmelin"} xref: HMDB:HMDB0002142 xref: KEGG:C00009 xref: KEGG:D05467 xref: KNApSAcK:C00007408 -xref: PMID:11455380 {source="Europe PMC"} -xref: PMID:15630224 {source="Europe PMC"} -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:17518491 {source="Europe PMC"} -xref: PMID:22282755 {source="Europe PMC"} -xref: PMID:22333268 {source="Europe PMC"} -xref: PMID:22381614 {source="Europe PMC"} -xref: PMID:22401268 {source="Europe PMC"} -xref: Reaxys:1921286 {source="Reaxys"} xref: Wikipedia:Phosphoric_Acid is_a: CHEBI:59698 ! phosphoric acids relationship: is_conjugate_acid_of CHEBI:39745 ! dihydrogenphosphate @@ -5315,13 +3877,6 @@ relationship: RO:0000087 CHEBI:33287 ! has role fertilizer relationship: RO:0000087 CHEBI:46787 ! has role solvent relationship: RO:0000087 CHEBI:77746 ! has role human metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string [Term] id: CHEBI:26082 @@ -5344,14 +3899,8 @@ synonym: "polar amino acids" RELATED [ChEBI] synonym: "polar amino-acid" RELATED [ChEBI] synonym: "polar amino-acids" RELATED [ChEBI] xref: MetaCyc:Polar-amino-acids -xref: PMID:12016058 {source="Europe PMC"} is_a: CHEBI:33709 ! amino acid relationship: is_tautomer_of CHEBI:62031 ! polar amino acid zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C(*)N)=O" xsd:string [Term] id: CHEBI:26191 @@ -5370,7 +3919,6 @@ def: "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced b subset: 3_STAR synonym: "amidine" EXACT [IUPAC] synonym: "Amidines" RELATED [KEGG_COMPOUND] -synonym: "amidines" EXACT IUPAC_NAME [IUPAC] synonym: "amidines" RELATED [ChEBI] is_a: CHEBI:51143 ! nitrogen molecular entity @@ -5412,11 +3960,6 @@ synonym: "purine nucleobases" RELATED [ChEBI] xref: KEGG:C15587 is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:26401 ! purines -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H3N4R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "119.104" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.03577" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(NC(=NC=2NC=NC12)*)=*" xsd:string [Term] id: CHEBI:26401 @@ -5426,10 +3969,6 @@ alt_id: CHEBI:13678 def: "A class of imidazopyrimidines that consists of purine and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:35875 ! imidazopyrimidine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5N4R7" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "116.080" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.01230" xsd:string [Term] id: CHEBI:26432 @@ -5443,11 +3982,6 @@ synonym: "pyrimidine nucleobase" EXACT [ChEBI] synonym: "pyrimidine nucleobases" RELATED [ChEBI] is_a: CHEBI:18282 ! nucleobase is_a: CHEBI:39447 ! pyrimidines -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4HN2R4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "77.064" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.01397" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1C(=C(C(=NC1=*)*)*)*" xsd:string [Term] id: CHEBI:26440 @@ -5466,24 +4000,12 @@ name: quinhydrone namespace: chebi_ontology subset: 3_STAR synonym: "Chinhydron" RELATED [ChemIDplus] -synonym: "cyclohexa-2,5-diene-1,4-dione--benzene-1,4-diol (1:1)" EXACT IUPAC_NAME [IUPAC] synonym: "green hydroquinone" RELATED [NIST_Chemistry_WebBook] synonym: "p-benzoquinhydrone" RELATED [ChemIDplus] synonym: "p-benzoquinone--hydroquinone compound (1:1)" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:3919222 {source="Beilstein"} -xref: CAS:106-34-3 {source="ChemIDplus"} -xref: CAS:106-34-3 {source="NIST Chemistry WebBook"} -xref: Gmelin:253527 {source="Gmelin"} is_a: CHEBI:35504 ! addition compound relationship: BFO:0000051 CHEBI:16509 ! has part 1,4-benzoquinone relationship: BFO:0000051 CHEBI:17594 ! has part hydroquinone -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDJXVNRFAQSMAA-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "218.20540" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.05791" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1" xsd:string [Term] id: CHEBI:26513 @@ -5531,9 +4053,6 @@ synonym: "saturated fatty acid" EXACT [ChEBI] synonym: "saturated fatty acids" RELATED [ChEBI] synonym: "SFA" RELATED [ChEBI] synonym: "SFAs" RELATED [ChEBI] -xref: PMID:16492686 {source="Europe PMC"} -xref: PMID:19763019 {source="Europe PMC"} -xref: PMID:20237329 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] @@ -5545,17 +4064,8 @@ subset: 3_STAR synonym: "SCFA" RELATED [ChEBI] synonym: "SCFAs" RELATED [ChEBI] synonym: "short-chain fatty acids" RELATED [ChEBI] -xref: PMID:16633129 {source="Europe PMC"} -xref: PMID:16870803 {source="Europe PMC"} -xref: PMID:18203540 {source="Europe PMC"} -xref: PMID:20148677 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid relationship: is_conjugate_acid_of CHEBI:58951 ! short-chain fatty acid anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2OR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "45.017" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:26708 @@ -5567,23 +4077,13 @@ synonym: "Na" RELATED [IUPAC] synonym: "Natrium" RELATED [ChemIDplus] synonym: "natrium" RELATED [IUPAC] synonym: "sodio" RELATED [ChemIDplus] -synonym: "sodium" EXACT IUPAC_NAME [IUPAC] synonym: "sodium" RELATED [ChEBI] -xref: CAS:7440-23-5 {source="ChemIDplus"} -xref: Gmelin:16221 {source="Gmelin"} xref: KEGG:C01330 xref: WebElements:Na is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22314 ! alkali metal atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEAYESYHFKHZAL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98977" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na]" xsd:string [Term] id: CHEBI:26709 @@ -5599,27 +4099,12 @@ synonym: "saures Natriumsulfit" RELATED [ChEBI] synonym: "sodium bisulfite" RELATED [ChemIDplus] synonym: "sodium bisulphite" RELATED [ChemIDplus] synonym: "sodium hydrogen sulfite" RELATED [ChemIDplus] -synonym: "sodium hydrogensulfite" EXACT IUPAC_NAME [IUPAC] -xref: AGR:IND605265115 {source="Europe PMC"} -xref: CAS:7631-90-5 {source="ChemIDplus"} -xref: Gmelin:22395 {source="Gmelin"} -xref: PMID:27905861 {source="Europe PMC"} -xref: PMID:30429859 {source="Europe PMC"} -xref: PMID:32714086 {source="Europe PMC"} -xref: PMID:32785935 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:38702 ! inorganic sodium salt is_a: CHEBI:48857 ! sulfite salt relationship: BFO:0000051 CHEBI:17137 ! has part hydrogensulfite relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:50904 ! has role allergen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HNaO3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DWAQJAXMDSEUJJ-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06191" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.95441" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].OS([O-])=O" xsd:string [Term] id: CHEBI:26712 @@ -5662,11 +4147,6 @@ synonym: "sulfuric acid ester" RELATED [ChEBI] synonym: "sulfuric acid esters" RELATED [ChEBI] is_a: CHEBI:35701 ! ester is_a: CHEBI:37826 ! sulfuric acid derivative -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OS(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:26820 @@ -5709,17 +4189,14 @@ subset: 3_STAR synonym: "16S" RELATED [IUPAC] synonym: "azufre" RELATED [ChEBI] synonym: "Elemental sulfur" RELATED [KEGG_COMPOUND] -synonym: "S" RELATED [KEGG_COMPOUND] synonym: "S" RELATED [IUPAC] +synonym: "S" RELATED [KEGG_COMPOUND] synonym: "Schwefel" RELATED [ChEBI] synonym: "soufre" RELATED [ChEBI] -synonym: "sulfur" EXACT IUPAC_NAME [IUPAC] synonym: "sulfur" RELATED [ChEBI] synonym: "sulfur" RELATED [UniProt] synonym: "sulphur" RELATED [ChEBI] synonym: "theion" RELATED [IUPAC] -xref: CAS:7704-34-9 {source="ChemIDplus"} -xref: CAS:7704-34-9 {source="NIST Chemistry WebBook"} xref: KEGG:C00087 xref: KEGG:D06527 xref: PPDB:605 @@ -5728,13 +4205,6 @@ is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33303 ! chalcogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NINIDFKCEFEMDL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06600" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97207" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S]" xsd:string [Term] id: CHEBI:26834 @@ -5767,48 +4237,20 @@ synonym: "[SO2(OH)2]" RELATED [IUPAC] synonym: "Acide sulfurique" RELATED [ChemIDplus] synonym: "Acido sulfurico" RELATED [ChemIDplus] synonym: "Acidum sulfuricum" RELATED [ChemIDplus] -synonym: "dihydrogen tetraoxosulfate" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO4" RELATED [IUPAC] -synonym: "hydrogen tetraoxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogen tetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] synonym: "Schwefelsaeureloesungen" RELATED [ChemIDplus] synonym: "Sulfuric acid" EXACT [KEGG_COMPOUND] -synonym: "sulfuric acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulfuric acid" EXACT [ChEBI] synonym: "sulphuric acid" RELATED [MolBase] -synonym: "tetraoxosulfuric acid" EXACT IUPAC_NAME [IUPAC] -xref: CAS:7664-93-9 {source="ChemIDplus"} -xref: CAS:7664-93-9 {source="KEGG COMPOUND"} -xref: CAS:7664-93-9 {source="NIST Chemistry WebBook"} -xref: Gmelin:2122 {source="Gmelin"} xref: KEGG:C00059 xref: KEGG:D05963 xref: KNApSAcK:C00007530 xref: MolBase:4 -xref: PMID:13568755 {source="Europe PMC"} -xref: PMID:16122922 {source="Europe PMC"} -xref: PMID:19397353 {source="Europe PMC"} -xref: PMID:22047659 {source="Europe PMC"} -xref: PMID:22136045 {source="Europe PMC"} -xref: PMID:22204399 {source="Europe PMC"} -xref: PMID:22267186 {source="Europe PMC"} -xref: PMID:22296037 {source="Europe PMC"} -xref: PMID:22364556 {source="Europe PMC"} -xref: PMID:22435616 {source="Europe PMC"} xref: PPDB:606 -xref: Reaxys:2037554 {source="Reaxys"} xref: Wikipedia:Sulfuric_acid is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:45696 ! hydrogensulfate relationship: RO:0000087 CHEBI:35223 ! has role catalyst -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "98.07948" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96738" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS(=O)(=O)O[H]" xsd:string [Term] id: CHEBI:26912 @@ -5860,7 +4302,6 @@ synonym: "metal de transicion" RELATED [ChEBI] synonym: "metal de transition" RELATED [ChEBI] synonym: "metales de transicion" RELATED [ChEBI] synonym: "metaux de transition" RELATED [ChEBI] -synonym: "transition element" EXACT IUPAC_NAME [IUPAC] synonym: "transition element" RELATED [ChEBI] synonym: "transition elements" RELATED [ChEBI] synonym: "transition metal" RELATED [ChEBI] @@ -5883,7 +4324,6 @@ synonym: "2,3,5-Triethyleneimino-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(1-aziridino)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione" RELATED [NIST_Chemistry_WebBook] synonym: "2,3,5-Tris(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] -synonym: "2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone" EXACT IUPAC_NAME [IUPAC] synonym: "2,3,5-Tris(aziridino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethyleneimino)-1,4-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethylenimino)-1,4-benzoquinone" RELATED [ChemIDplus] @@ -5891,42 +4331,19 @@ synonym: "2,3,5-Tris(ethylenimino)-p-benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Tris(ethylenimino)benzoquinone" RELATED [ChemIDplus] synonym: "2,3,5-Trisethyleneiminobenzoquinone" RELATED [ChemIDplus] synonym: "Triazichon" RELATED [ChemIDplus] -synonym: "triazicuona" RELATED INN [ChemIDplus] -synonym: "triaziquone" RELATED INN [WHO_MedNet] -synonym: "triaziquone" RELATED INN [KEGG_DRUG] -synonym: "Triaziquonum" RELATED INN [ChemIDplus] synonym: "Triethyleneaminobenzoquinone" RELATED [ChemIDplus] synonym: "Tris(1-aziridinyl)-p-benzoquinone" RELATED [ChemIDplus] synonym: "Tris(aziridinyl)-p-benzoquinone" RELATED [NIST_Chemistry_WebBook] synonym: "Tris(aziridinyl)-para-benzoquinone" RELATED [KEGG_COMPOUND] synonym: "Tris(ethyleneimino)benzoquinone" RELATED [ChemIDplus] -xref: CAS:68-76-8 {source="ChemIDplus"} -xref: CAS:68-76-8 {source="NIST Chemistry WebBook"} -xref: CAS:68-76-8 {source="KEGG COMPOUND"} -xref: Drug_Central:4372 {source="DrugCentral"} xref: KEGG:C19542 xref: KEGG:D07254 -xref: PMID:146335 {source="Europe PMC"} -xref: PMID:20371239 {source="Europe PMC"} -xref: PMID:362189 {source="Europe PMC"} -xref: PMID:3672382 {source="Europe PMC"} -xref: PMID:582920 {source="Europe PMC"} -xref: PMID:624547 {source="Europe PMC"} -xref: PMID:74416 {source="Europe PMC"} -xref: Reaxys:238057 {source="Reaxys"} xref: Wikipedia:Triaziquone is_a: BFO:0000004 ! independent continuant is_a: CHEBI:132124 ! 1,4-benzoquinones is_a: CHEBI:22681 ! aziridines relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H13N3O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXSOHRWMIRDKMP-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "231.25050" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "231.10078" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1" xsd:string [Term] id: CHEBI:27134 @@ -5972,17 +4389,7 @@ namespace: chebi_ontology subset: 3_STAR synonym: "carbamic acid, vinyl ester" RELATED [ChemIDplus] synonym: "ethenyl carbamate" RELATED [ChemIDplus] -synonym: "vinyl carbamate" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:1921122 {source="ChemIDplus"} -xref: CAS:15805-73-9 {source="ChemIDplus"} is_a: CHEBI:23003 ! carbamate ester -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LVLANIHJQRZTPY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "87.07734" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.03203" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(=O)OC=C" xsd:string [Term] id: CHEBI:27311 @@ -6017,10 +4424,8 @@ def: "A neutral compound having formal unit electrical charges of opposite sign subset: 3_STAR synonym: "compose zwitterionique" RELATED [IUPAC] synonym: "compuestos zwitterionicos" RELATED [IUPAC] -synonym: "zwitterion" EXACT IUPAC_NAME [IUPAC] synonym: "zwitteriones" RELATED [IUPAC] synonym: "zwitterionic compounds" RELATED [IUPAC] -synonym: "zwitterions" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51151 ! dipolar compound [Term] @@ -6031,32 +4436,16 @@ alt_id: CHEBI:6813 def: "An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl." [] subset: 3_STAR synonym: "Methanesulfonic acid" EXACT [KEGG_COMPOUND] -synonym: "methanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Methansulfonsaeure" RELATED [ChEBI] synonym: "methylsulfonic acid" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1446024 {source="Beilstein"} -xref: CAS:75-75-2 {source="KEGG COMPOUND"} -xref: CAS:75-75-2 {source="ChemIDplus"} -xref: CAS:75-75-2 {source="NIST Chemistry WebBook"} -xref: Gmelin:1681 {source="Gmelin"} xref: KEGG:C11145 xref: MetaCyc:CPD-3746 -xref: PMID:24304088 {source="Europe PMC"} -xref: PMID:24593036 {source="Europe PMC"} -xref: Reaxys:1446024 {source="Reaxys"} xref: Wikipedia:Methanesulfonic_acid is_a: BFO:0000004 ! independent continuant is_a: CHEBI:47901 ! alkanesulfonic acid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:25224 ! methanesulfonate relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AFVFQIVMOAPDHO-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.10666" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.98812" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(O)(=O)=O" xsd:string [Term] id: CHEBI:27470 @@ -6069,15 +4458,8 @@ alt_id: CHEBI:569217 def: "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation." [] subset: 3_STAR synonym: "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid" RELATED [IUPAC] -synonym: "Acfol" RELATED BRAND_NAME [ChemIDplus] -synonym: "acide folique" RELATED INN [WHO_MedNet] -synonym: "acido folico" RELATED INN [WHO_MedNet] -synonym: "acidum folicum" RELATED INN [WHO_MedNet] synonym: "Folate" RELATED [KEGG_COMPOUND] -synonym: "folic acid" RELATED INN [WHO_MedNet] -synonym: "Folicet" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Folsaeure" RELATED [ChEBI] -synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid" RELATED [PDBeChem] synonym: "N-pteroyl-L-glutamic acid" RELATED [ChEBI] synonym: "PGA" RELATED [NIST_Chemistry_WebBook] @@ -6091,13 +4473,7 @@ synonym: "vitamin B9" RELATED [ChemIDplus] synonym: "vitamin Bc" RELATED [ChemIDplus] synonym: "vitamin Be" RELATED [ChemIDplus] synonym: "vitamin M" RELATED [ChemIDplus] -xref: AGR:IND606960789 {source="Europe PMC"} -xref: Beilstein:100781 {source="Beilstein"} -xref: CAS:59-30-3 {source="KEGG COMPOUND"} -xref: CAS:59-30-3 {source="NIST Chemistry WebBook"} -xref: CAS:59-30-3 {source="ChemIDplus"} xref: Chemspider:5815 -xref: Drug_Central:1231 {source="DrugCentral"} xref: DrugBank:DB00158 xref: FooDB:FDB014504 xref: HMDB:HMDB0000121 @@ -6107,45 +4483,6 @@ xref: KNApSAcK:C00001539 xref: LINCS:LSM-5355 xref: MetaCyc:CPD-12826 xref: PDBeChem:FOL -xref: PMID:10138938 {source="Europe PMC"} -xref: PMID:10897644 {source="Europe PMC"} -xref: PMID:10958818 {source="Europe PMC"} -xref: PMID:11261364 {source="Europe PMC"} -xref: PMID:11451208 {source="Europe PMC"} -xref: PMID:11959400 {source="Europe PMC"} -xref: PMID:14387833 {source="Europe PMC"} -xref: PMID:15321809 {source="Europe PMC"} -xref: PMID:15523939 {source="Europe PMC"} -xref: PMID:15754725 {source="Europe PMC"} -xref: PMID:15797531 {source="Europe PMC"} -xref: PMID:15797685 {source="Europe PMC"} -xref: PMID:15831910 {source="Europe PMC"} -xref: PMID:15990733 {source="Europe PMC"} -xref: PMID:16093404 {source="Europe PMC"} -xref: PMID:16277678 {source="Europe PMC"} -xref: PMID:16380297 {source="Europe PMC"} -xref: PMID:16871332 {source="Europe PMC"} -xref: PMID:17784727 {source="Europe PMC"} -xref: PMID:18788725 {source="ChEMBL"} -xref: PMID:19121630 {source="Europe PMC"} -xref: PMID:19335717 {source="Europe PMC"} -xref: PMID:19355913 {source="Europe PMC"} -xref: PMID:24650098 {source="Europe PMC"} -xref: PMID:33624660 {source="Europe PMC"} -xref: PMID:33965562 {source="Europe PMC"} -xref: PMID:33968971 {source="Europe PMC"} -xref: PMID:34207319 {source="Europe PMC"} -xref: PMID:34219855 {source="Europe PMC"} -xref: PMID:7738698 {source="Europe PMC"} -xref: PMID:8235383 {source="Europe PMC"} -xref: PMID:9040515 {source="Europe PMC"} -xref: PMID:9420019 {source="Europe PMC"} -xref: PMID:9565830 {source="Europe PMC"} -xref: PMID:9683174 {source="Europe PMC"} -xref: PMID:9781393 {source="Europe PMC"} -xref: PMID:9808640 {source="Europe PMC"} -xref: PMID:9808641 {source="Europe PMC"} -xref: Reaxys:100781 {source="Reaxys"} xref: Wikipedia:Folic_Acid is_a: CHEBI:37445 ! folic acids is_a: CHEBI:51569 ! N-acyl-amino acid @@ -6153,13 +4490,6 @@ relationship: has_functional_parent CHEBI:38794 ! pteroic acid relationship: is_conjugate_acid_of CHEBI:62501 ! folate(2-) relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H19N7O6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "441.39750" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "441.13968" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:27504 @@ -6169,37 +4499,22 @@ alt_id: CHEBI:25356 alt_id: CHEBI:6953 subset: 3_STAR synonym: "7-Amino-9alpha-methoxymitosane" RELATED [ChemIDplus] -synonym: "[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate" EXACT IUPAC_NAME [IUPAC] synonym: "Ametycine" RELATED [ChemIDplus] synonym: "Mitocin-C" RELATED [ChemIDplus] synonym: "Mitomycin" RELATED [KEGG_COMPOUND] synonym: "Mitomycin C" EXACT [KEGG_COMPOUND] synonym: "MMC" RELATED [ChemIDplus] synonym: "Mutamycin" RELATED [ChemIDplus] -xref: Beilstein:3570056 {source="Beilstein"} -xref: CAS:50-07-7 {source="ChemIDplus"} -xref: CAS:50-07-7 {source="KEGG COMPOUND"} -xref: Drug_Central:1819 {source="DrugCentral"} xref: DrugBank:DB00305 xref: KEGG:C06681 xref: KEGG:D00208 xref: KNApSAcK:C00018668 xref: LINCS:LSM-6310 -xref: PMID:36194168 {source="Europe PMC"} -xref: PMID:36453313 {source="Europe PMC"} -xref: PMID:36473690 {source="Europe PMC"} xref: Wikipedia:Mitomycin is_a: CHEBI:25357 ! mitomycin relationship: is_conjugate_acid_of CHEBI:194095 ! mitomycin C(1-) relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H18N4O5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NWIBSHFKIJFRCO-WUDYKRTCSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "334.32720" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "334.12772" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O" xsd:string [Term] id: CHEBI:27560 @@ -6215,10 +4530,7 @@ synonym: "boracium" RELATED [ChEBI] synonym: "bore" RELATED [ChEBI] synonym: "boro" RELATED [ChEBI] synonym: "Boron" RELATED [KEGG_COMPOUND] -synonym: "boron" EXACT IUPAC_NAME [IUPAC] synonym: "boron" RELATED [ChEBI] -xref: CAS:7440-42-8 {source="ChemIDplus"} -xref: CAS:7440-42-8 {source="KEGG COMPOUND"} xref: KEGG:C06266 xref: WebElements:B is_a: BFO:0000004 ! independent continuant @@ -6226,13 +4538,6 @@ is_a: CHEBI:137980 ! metalloid atom is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33317 ! boron group element atom relationship: RO:0000087 CHEBI:27027 ! has role micronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "B" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/B" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOXJGFHDIHLPTG-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "10.81100" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "11.00930" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[B]" xsd:string [Term] id: CHEBI:27561 @@ -6257,24 +4562,11 @@ synonym: "ETO" RELATED [ChemIDplus] synonym: "Oxacyclopropane" RELATED [ChemIDplus] synonym: "Oxane" RELATED [ChemIDplus] synonym: "Oxidoethane" RELATED [ChemIDplus] -synonym: "oxirane" EXACT IUPAC_NAME [IUPAC] synonym: "oxyde d'ethylene" RELATED [ChemIDplus] synonym: "Oxyfume" RELATED [ChEBI] -xref: Beilstein:102378 {source="Beilstein"} -xref: CAS:75-21-8 {source="NIST Chemistry WebBook"} -xref: CAS:75-21-8 {source="KEGG COMPOUND"} -xref: CAS:75-21-8 {source="ChemIDplus"} -xref: Gmelin:676 {source="Gmelin"} xref: HMDB:HMDB0031305 xref: KEGG:C06548 xref: KEGG:D03474 -xref: PMID:11437638 {source="Europe PMC"} -xref: PMID:24313866 {source="Europe PMC"} -xref: PMID:24882394 {source="Europe PMC"} -xref: PMID:25005741 {source="Europe PMC"} -xref: PMID:3932500 {source="Europe PMC"} -xref: Reaxys:102378 {source="Reaxys"} -xref: UM-BBD_compID:c0527 {source="UM-BBD"} xref: Wikipedia:Oxirane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity @@ -6283,13 +4575,6 @@ is_a: CHEBI:38104 ! oxacycle relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:50904 ! has role allergen relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAYPIBMASNFSPL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.05256" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.02621" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CO1" xsd:string [Term] id: CHEBI:27594 @@ -6302,27 +4587,17 @@ synonym: "6C" RELATED [IUPAC] synonym: "C" RELATED [KEGG_COMPOUND] synonym: "C" RELATED [IUPAC] synonym: "Carbon" RELATED [KEGG_COMPOUND] -synonym: "carbon" EXACT IUPAC_NAME [IUPAC] synonym: "carbon" RELATED [ChEBI] synonym: "carbone" RELATED [ChEBI] synonym: "carbonium" RELATED [ChEBI] synonym: "carbono" RELATED [ChEBI] synonym: "Kohlenstoff" RELATED [ChEBI] -xref: CAS:7440-44-0 {source="ChemIDplus"} -xref: CAS:7440-44-0 {source="KEGG COMPOUND"} xref: KEGG:C06265 xref: WebElements:C is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33306 ! carbon group element atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "12.01070" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "12.00000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C]" xsd:string [Term] id: CHEBI:27666 @@ -6331,17 +4606,12 @@ namespace: chebi_ontology alt_id: CHEBI:22218 alt_id: CHEBI:2446 subset: 3_STAR -synonym: "2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide" EXACT IUPAC_NAME [IUPAC] synonym: "2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide" RELATED [ChemIDplus] synonym: "ActD" RELATED [ChEBI] synonym: "actinomycin C1" RELATED [ChEBI] synonym: "Actinomycin D" EXACT [KEGG_COMPOUND] synonym: "actinomycin IV" RELATED [ChemIDplus] synonym: "Dactinomycin" RELATED [KEGG_COMPOUND] -xref: Beilstein:4173766 {source="Beilstein"} -xref: CAS:50-76-0 {source="ChemIDplus"} -xref: CAS:50-76-0 {source="KEGG COMPOUND"} -xref: Drug_Central:774 {source="DrugCentral"} xref: DrugBank:DB00970 xref: KEGG:C06770 xref: KEGG:D00214 @@ -6349,13 +4619,6 @@ xref: LINCS:LSM-5783 xref: Wikipedia:Dactinomycin is_a: CHEBI:15369 ! actinomycin relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C62H86N12O16" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RJURFGZVJUQBHK-IIXSONLDSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "1255.41700" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1254.62847" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C" xsd:string [Term] id: CHEBI:27732 @@ -6367,7 +4630,6 @@ alt_id: CHEBI:41472 def: "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee." [] subset: 3_STAR synonym: "1,3,7-trimethyl-2,6-dioxopurine" RELATED [ChemIDplus] -synonym: "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,7-trimethylpurine-2,6-dione" RELATED [IUPHAR] synonym: "1,3,7-Trimethylxanthine" RELATED [KEGG_COMPOUND] synonym: "1,3,7-trimethylxanthine" RELATED [NIST_Chemistry_WebBook] @@ -6388,13 +4650,7 @@ synonym: "methyltheobromine" RELATED [IUPHAR] synonym: "teina" RELATED [ChEBI] synonym: "Thein" RELATED [ChemIDplus] synonym: "theine" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:17705 {source="Beilstein"} -xref: CAS:58-08-2 {source="NIST Chemistry WebBook"} -xref: CAS:58-08-2 {source="ChemIDplus"} -xref: CAS:58-08-2 {source="KEGG COMPOUND"} -xref: Drug_Central:463 {source="DrugCentral"} xref: DrugBank:DB00201 -xref: Gmelin:103040 {source="Gmelin"} xref: HMDB:HMDB0001847 xref: KEGG:C07481 xref: KEGG:D00528 @@ -6402,74 +4658,6 @@ xref: KNApSAcK:C00001492 xref: LINCS:LSM-2026 xref: MetaCyc:1-3-7-TRIMETHYLXANTHINE xref: PDBeChem:CFF -xref: PMID:10510174 {source="Europe PMC"} -xref: PMID:10796597 {source="Europe PMC"} -xref: PMID:10803761 {source="Europe PMC"} -xref: PMID:10822912 {source="Europe PMC"} -xref: PMID:10884512 {source="Europe PMC"} -xref: PMID:10924888 {source="Europe PMC"} -xref: PMID:10983026 {source="Europe PMC"} -xref: PMID:11014293 {source="Europe PMC"} -xref: PMID:11022879 {source="Europe PMC"} -xref: PMID:11209966 {source="Europe PMC"} -xref: PMID:11312039 {source="Europe PMC"} -xref: PMID:11410911 {source="Europe PMC"} -xref: PMID:11431501 {source="Europe PMC"} -xref: PMID:11815511 {source="Europe PMC"} -xref: PMID:11949272 {source="Europe PMC"} -xref: PMID:12397877 {source="Europe PMC"} -xref: PMID:12457274 {source="Europe PMC"} -xref: PMID:12574990 {source="Europe PMC"} -xref: PMID:12915014 {source="Europe PMC"} -xref: PMID:12943586 {source="Europe PMC"} -xref: PMID:14521986 {source="Europe PMC"} -xref: PMID:14607010 {source="Europe PMC"} -xref: PMID:15257305 {source="Europe PMC"} -xref: PMID:15280431 {source="Europe PMC"} -xref: PMID:15681408 {source="Europe PMC"} -xref: PMID:15718055 {source="Europe PMC"} -xref: PMID:15840517 {source="Europe PMC"} -xref: PMID:16143823 {source="Europe PMC"} -xref: PMID:16391865 {source="Europe PMC"} -xref: PMID:16528931 {source="Europe PMC"} -xref: PMID:16644114 {source="Europe PMC"} -xref: PMID:16709440 {source="Europe PMC"} -xref: PMID:16805851 {source="Europe PMC"} -xref: PMID:16856769 {source="Europe PMC"} -xref: PMID:17132260 {source="Europe PMC"} -xref: PMID:17387608 {source="Europe PMC"} -xref: PMID:17508167 {source="Europe PMC"} -xref: PMID:17724925 {source="Europe PMC"} -xref: PMID:17932622 {source="Europe PMC"} -xref: PMID:17957400 {source="Europe PMC"} -xref: PMID:18068204 {source="Europe PMC"} -xref: PMID:18258404 {source="Europe PMC"} -xref: PMID:18421070 {source="Europe PMC"} -xref: PMID:18513215 {source="Europe PMC"} -xref: PMID:18625110 {source="Europe PMC"} -xref: PMID:18647558 {source="Europe PMC"} -xref: PMID:19007524 {source="Europe PMC"} -xref: PMID:19047957 {source="Europe PMC"} -xref: PMID:19084078 {source="Europe PMC"} -xref: PMID:19088793 {source="Europe PMC"} -xref: PMID:19418355 {source="Europe PMC"} -xref: PMID:19879252 {source="Europe PMC"} -xref: PMID:20164568 {source="Europe PMC"} -xref: PMID:20470411 {source="Europe PMC"} -xref: PMID:22114686 {source="Europe PMC"} -xref: PMID:22770225 {source="Europe PMC"} -xref: PMID:23551936 {source="Europe PMC"} -xref: PMID:24039592 {source="Europe PMC"} -xref: PMID:7441110 {source="Europe PMC"} -xref: PMID:7689104 {source="Europe PMC"} -xref: PMID:8332255 {source="Europe PMC"} -xref: PMID:8347173 {source="Europe PMC"} -xref: PMID:8679661 {source="Europe PMC"} -xref: PMID:9063686 {source="Europe PMC"} -xref: PMID:9067318 {source="Europe PMC"} -xref: PMID:9132918 {source="Europe PMC"} -xref: PMID:9218278 {source="Europe PMC"} -xref: Reaxys:17705 {source="Reaxys"} xref: Wikipedia:Caffeine is_a: CHEBI:27134 ! trimethylxanthine relationship: RO:0000087 CHEBI:176497 ! has role geroprotector @@ -6489,13 +4677,6 @@ relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76946 ! has role fungal metabolite relationship: RO:0000087 CHEBI:78298 ! has role environmental contaminant relationship: RO:0000087 CHEBI:85234 ! has role human blood serum metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10N4O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYYVLZVUVIJVGH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "194.19076" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.08038" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1cnc2n(C)c(=O)n(C)c(=O)c12" xsd:string [Term] id: CHEBI:27789 @@ -6511,7 +4692,6 @@ synonym: "1,2-Dichloraethan" RELATED [ChEBI] synonym: "1,2-DICHLOROETHANE" EXACT [PDBeChem] synonym: "1,2-Dichloroethane" EXACT [KEGG_COMPOUND] synonym: "1,2-dichloroethane" EXACT [UniProt] -synonym: "1,2-dichloroethane" EXACT IUPAC_NAME [IUPAC] synonym: "Aethylenchlorid" RELATED [ChEBI] synonym: "Aethylendichlorid" RELATED [ChEBI] synonym: "alpha,beta-dichloroethane" RELATED [NIST_Chemistry_WebBook] @@ -6522,40 +4702,18 @@ synonym: "ethane dichloride" RELATED [ChemIDplus] synonym: "ethylene chloride" RELATED [ChemIDplus] synonym: "Ethylene dichloride" RELATED [KEGG_COMPOUND] synonym: "Glycol dichloride" RELATED [KEGG_COMPOUND] -xref: Beilstein:605264 {source="Beilstein"} -xref: CAS:107-06-2 {source="NIST Chemistry WebBook"} -xref: CAS:107-06-2 {source="ChemIDplus"} -xref: CAS:107-06-2 {source="KEGG COMPOUND"} xref: DrugBank:DB03733 -xref: Gmelin:49272 {source="Gmelin"} xref: HMDB:HMDB0029571 xref: KEGG:C06752 xref: MetaCyc:12-DICHLOROETHANE xref: PDBeChem:DCE -xref: PMID:17564600 {source="Europe PMC"} -xref: PMID:18579268 {source="Europe PMC"} -xref: PMID:24228488 {source="Europe PMC"} -xref: PMID:24329990 {source="Europe PMC"} -xref: PMID:24441515 {source="Europe PMC"} -xref: PMID:31520740 {source="Europe PMC"} -xref: PMID:32830330 {source="Europe PMC"} -xref: PMID:33047531 {source="Europe PMC"} xref: PPDB:2774 -xref: Reaxys:605264 {source="Reaxys"} -xref: UM-BBD_compID:c0001 {source="UM-BBD"} xref: Wikipedia:1\,2-Dichloroethane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:36016 ! chloroethanes relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:50908 ! has role hepatotoxic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Cl2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WSLDOOZREJYCGB-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "98.95856" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.96901" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClCCCl" xsd:string [Term] id: CHEBI:27899 @@ -6565,38 +4723,20 @@ alt_id: CHEBI:23314 alt_id: CHEBI:3722 def: "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups)." [] subset: 3_STAR -synonym: "(SP-4-2)-diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] -synonym: "(SP-4-2)-diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] synonym: "[PtCl2(NH3)2]" RELATED [KEGG_COMPOUND] -synonym: "Briplatin" RELATED BRAND_NAME [ChemIDplus] synonym: "CDDP" RELATED [KEGG_COMPOUND] synonym: "cis-[PtCl2(NH3)2]" RELATED [MolBase] synonym: "cis-DDP" RELATED [ChemIDplus] -synonym: "cis-diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diamminedichloroplatinum" RELATED [ChemIDplus] synonym: "cis-Diamminedichloroplatinum(II)" RELATED [KEGG_COMPOUND] -synonym: "cis-diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "cis-diammineplatinum(II) dichloride" RELATED [ChemIDplus] synonym: "cis-dichlorodiammineplatinum(II)" RELATED [ChemIDplus] synonym: "cis-platin" RELATED [ChEBI] -synonym: "Cismaplat" RELATED BRAND_NAME [DrugBank] synonym: "Cisplatin" EXACT [KEGG_COMPOUND] -synonym: "cisplatin" RELATED INN [ChemIDplus] -synonym: "cisplatine" RELATED INN [ChemIDplus] -synonym: "cisplatino" RELATED INN [ChemIDplus] -synonym: "cisplatinum" RELATED INN [ChemIDplus] -synonym: "Lederplatin" RELATED BRAND_NAME [DrugBank] -synonym: "Neoplatin" RELATED BRAND_NAME [DrugBank] synonym: "Peyrone's chloride" RELATED [ChemIDplus] synonym: "Peyrone's salt" RELATED [ChEBI] synonym: "Platamine" RELATED [DrugBank] -synonym: "Platinex" RELATED BRAND_NAME [DrugBank] -synonym: "Platinol" RELATED BRAND_NAME [KEGG_DRUG] -synonym: "Randa" RELATED BRAND_NAME [DrugBank] -xref: CAS:15663-27-1 {source="ChemIDplus"} -xref: CAS:15663-27-1 {source="KEGG COMPOUND"} xref: DrugBank:DB00515 -xref: Gmelin:2519 {source="Gmelin"} xref: HMDB:HMDB0014656 xref: KEGG:C06911 xref: KEGG:D00275 @@ -6604,18 +4744,6 @@ xref: MetaCyc:CPD0-1392 xref: MolBase:25 xref: Patent:DE2318020 xref: Patent:DE2329485 -xref: PMID:10883661 {source="Europe PMC"} -xref: PMID:12537968 {source="Europe PMC"} -xref: PMID:12831510 {source="Europe PMC"} -xref: PMID:12935404 {source="Europe PMC"} -xref: PMID:16327988 {source="Europe PMC"} -xref: PMID:18472761 {source="Europe PMC"} -xref: PMID:1855275 {source="Europe PMC"} -xref: PMID:23554447 {source="Europe PMC"} -xref: PMID:23604226 {source="Europe PMC"} -xref: PMID:23651576 {source="Europe PMC"} -xref: PMID:28494534 {source="Europe PMC"} -xref: Reaxys:11324567 {source="Reaxys"} xref: Wikipedia:Cisplatin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:51214 ! diamminedichloroplatinum @@ -6626,14 +4754,6 @@ relationship: RO:0000087 CHEBI:47868 ! has role photosensitizing agent relationship: RO:0000087 CHEBI:50684 ! has role cross-linking reagent relationship: RO:0000087 CHEBI:61015 ! has role nephrotoxin relationship: RO:0000087 CHEBI:68495 ! has role apoptosis inducer -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2H6N2Pt" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H6Cl2N2Pt" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LXZZYRPGZAFOLE-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "300.04452" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.95560" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]" xsd:string [Term] id: CHEBI:27919 @@ -6643,7 +4763,6 @@ alt_id: CHEBI:27109 alt_id: CHEBI:9708 subset: 3_STAR synonym: "2,4,6-tri(1-aziridinyl)-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] -synonym: "2,4,6-tri(aziridin-1-yl)-1,3,5-triazine" EXACT IUPAC_NAME [IUPAC] synonym: "2,4,6-tris(1-aziridinyl)-1,3,5-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,6-tris(1-aziridinyl)-s-triazine" RELATED [NIST_Chemistry_WebBook] synonym: "2,4,6-tris(aziridin-1-yl)-1,3,5-triazine" RELATED [ChEBI] @@ -6651,24 +4770,11 @@ synonym: "TEM" RELATED [ChEBI] synonym: "tretamine" EXACT [ChemIDplus] synonym: "Triethylenemelamine" RELATED [KEGG_COMPOUND] synonym: "Trisaziridinyltriazine" RELATED [KEGG_COMPOUND] -xref: Beilstein:242245 {source="Beilstein"} -xref: CAS:51-18-3 {source="KEGG COMPOUND"} -xref: CAS:51-18-3 {source="ChemIDplus"} -xref: CAS:51-18-3 {source="NIST Chemistry WebBook"} -xref: Drug_Central:2739 {source="DrugCentral"} xref: KEGG:C07642 -xref: Reaxys:242245 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26588 ! 1,3,5-triazines relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:67105 ! has role insect sterilant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12N6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUCJMVBFZDHPDX-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "204.23202" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.11234" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN1c1nc(nc(n1)N1CC1)N1CC1" xsd:string [Term] id: CHEBI:28044 @@ -6678,7 +4784,6 @@ alt_id: CHEBI:25984 alt_id: CHEBI:8089 def: "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." [] subset: 3_STAR -synonym: "2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Phenylalanine" RELATED [KEGG_COMPOUND] synonym: "F" RELATED [ChEBI] @@ -6687,15 +4792,7 @@ synonym: "PHE" RELATED [ChEBI] synonym: "Phenylalanin" RELATED [ChEBI] synonym: "Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "phenylalanine" EXACT [ChEBI] -synonym: "phenylalanine" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:1910407 {source="Beilstein"} -xref: CAS:150-30-1 {source="ChemIDplus"} -xref: CAS:150-30-1 {source="NIST Chemistry WebBook"} -xref: Gmelin:50836 {source="Gmelin"} xref: KEGG:C02057 -xref: PMID:17439666 {source="Europe PMC"} -xref: PMID:22264337 {source="Europe PMC"} -xref: Reaxys:1910407 {source="Reaxys"} xref: Wikipedia:Phenylalanine is_a: CHEBI:33704 ! alpha-amino acid is_a: CHEBI:33856 ! aromatic amino acid @@ -6703,13 +4800,6 @@ relationship: BFO:0000051 CHEBI:22744 ! has part benzyl group relationship: is_conjugate_acid_of CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:32505 ! phenylalaninium relationship: RO:0000087 CHEBI:83056 ! has role Daphnia magna metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:28230 @@ -6721,28 +4811,16 @@ def: "A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, subset: 3_STAR synonym: "(-)-(S)-hesperetin" RELATED [ChEBI] synonym: "(-)-hesperetin" RELATED [ChEBI] -synonym: "(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-hesperetin" RELATED [UniProt] synonym: "(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "3',5,7-Trihydroxy-4'-methoxyflavanone" RELATED [KEGG_COMPOUND] synonym: "Hesperetin" EXACT [KEGG_COMPOUND] -xref: Beilstein:92705 {source="Beilstein"} -xref: CAS:520-33-2 {source="ChemIDplus"} -xref: CAS:520-33-2 {source="KEGG COMPOUND"} -xref: Drug_Central:1362 {source="DrugCentral"} xref: DrugBank:DB01094 xref: HMDB:HMDB0005782 xref: KEGG:C01709 xref: KNApSAcK:C00000968 xref: LINCS:LSM-20933 -xref: LIPID_MAPS_instance:LMPK12140003 {source="LIPID MAPS"} xref: MetaCyc:CPD-7072 -xref: PMID:16964766 {source="Europe PMC"} -xref: PMID:22409373 {source="Europe PMC"} -xref: PMID:22794525 {source="Europe PMC"} -xref: PMID:22899565 {source="Europe PMC"} -xref: PMID:22903244 {source="Europe PMC"} -xref: Reaxys:92705 {source="Reaxys"} xref: Wikipedia:Hesperetin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:140332 ! 4'-methoxyflavanones @@ -6753,13 +4831,6 @@ relationship: is_conjugate_acid_of CHEBI:61249 ! hesperetin(1-) relationship: RO:0000087 CHEBI:22586 ! has role antioxidant relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14O6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AIONOLUJZLIMTK-AWEZNQCLSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "302.27880" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.07904" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1" xsd:string [Term] id: CHEBI:28262 @@ -6771,32 +4842,20 @@ alt_id: CHEBI:4612 def: "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents." [] subset: 3_STAR synonym: "(CH3)2SO" RELATED [NIST_Chemistry_WebBook] -synonym: "(methanesulfinyl)methane" EXACT IUPAC_NAME [IUPAC] synonym: "DIMETHYL SULFOXIDE" EXACT [PDBeChem] synonym: "Dimethyl sulfoxide" EXACT [KEGG_COMPOUND] synonym: "dimethyl sulfoxide" EXACT [UniProt] -synonym: "dimethyl sulfoxide" EXACT IUPAC_NAME [IUPAC] -synonym: "dimethyl sulfoxide" RELATED INN [ChemIDplus] synonym: "dimethyl sulfur oxide" RELATED [NIST_Chemistry_WebBook] synonym: "dimethyl sulphoxide" RELATED [ChemIDplus] -synonym: "dimethyli sulfoxidum" RELATED INN [ChemIDplus] synonym: "Dimethylsulfoxid" RELATED [ChEBI] -synonym: "dimethylsulfoxyde" RELATED INN [ChemIDplus] -synonym: "dimetil sulfoxido" RELATED INN [ChemIDplus] synonym: "DMSO" RELATED [KEGG_COMPOUND] synonym: "dmso" RELATED [IUPAC] synonym: "methylsulfinylmethane" RELATED [ChemIDplus] synonym: "S(O)Me2" RELATED [ChEBI] synonym: "sulfinylbis(methane)" RELATED [ChemIDplus] -xref: Beilstein:506008 {source="Beilstein"} -xref: CAS:67-68-5 {source="NIST Chemistry WebBook"} -xref: CAS:67-68-5 {source="ChemIDplus"} -xref: CAS:67-68-5 {source="KEGG COMPOUND"} xref: Chemspider:659 -xref: Drug_Central:906 {source="DrugCentral"} xref: DrugBank:DB01093 xref: FooDB:FDB000764 -xref: Gmelin:1556 {source="Gmelin"} xref: HMDB:HMDB0002151 xref: KEGG:C11143 xref: KEGG:D01043 @@ -6804,40 +4863,6 @@ xref: KNApSAcK:C00053120 xref: LINCS:LSM-36361 xref: MetaCyc:DMSO xref: PDBeChem:DMS -xref: PMID:10298633 {source="Europe PMC"} -xref: PMID:11162043 {source="Europe PMC"} -xref: PMID:11350866 {source="Europe PMC"} -xref: PMID:11474739 {source="Europe PMC"} -xref: PMID:12663039 {source="Europe PMC"} -xref: PMID:15237653 {source="Europe PMC"} -xref: PMID:15588915 {source="Europe PMC"} -xref: PMID:15868171 {source="Europe PMC"} -xref: PMID:16434015 {source="Europe PMC"} -xref: PMID:16522014 {source="Europe PMC"} -xref: PMID:19096138 {source="Europe PMC"} -xref: PMID:19382398 {source="Europe PMC"} -xref: PMID:19443933 {source="Europe PMC"} -xref: PMID:20828537 {source="Europe PMC"} -xref: PMID:21426213 {source="Europe PMC"} -xref: PMID:22030943 {source="Europe PMC"} -xref: PMID:22722716 {source="Europe PMC"} -xref: PMID:22768202 {source="Europe PMC"} -xref: PMID:22814967 {source="Europe PMC"} -xref: PMID:23050031 {source="Europe PMC"} -xref: PMID:23313473 {source="Europe PMC"} -xref: PMID:28220525 {source="Europe PMC"} -xref: PMID:29938311 {source="Europe PMC"} -xref: PMID:31489176 {source="Europe PMC"} -xref: PMID:3510103 {source="Europe PMC"} -xref: PMID:3898376 {source="Europe PMC"} -xref: PMID:3916302 {source="Europe PMC"} -xref: PMID:4223708 {source="Europe PMC"} -xref: PMID:4556944 {source="Europe PMC"} -xref: PMID:4963226 {source="Europe PMC"} -xref: PMID:6309056 {source="Europe PMC"} -xref: PMID:6379027 {source="Europe PMC"} -xref: Reaxys:506008 {source="Reaxys"} -xref: UM-BBD_compID:c0236 {source="UM-BBD"} xref: Wikipedia:Dimethyl_sulfoxide is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound @@ -6850,13 +4875,6 @@ relationship: RO:0000087 CHEBI:48358 ! has role polar aprotic solvent relationship: RO:0000087 CHEBI:48578 ! has role radical scavenger relationship: RO:0000087 CHEBI:50247 ! has role antidote relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6OS" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAZDPXIOMUYVGZ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "78.13444" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.01394" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(C)=O" xsd:string [Term] id: CHEBI:28534 @@ -6868,7 +4886,6 @@ def: "A bromoalkane that is ethane carrying bromo substituents at positions 1 an subset: 3_STAR synonym: "1,2-Dibromoethane" EXACT [KEGG_COMPOUND] synonym: "1,2-dibromoethane" EXACT [UniProt] -synonym: "1,2-dibromoethane" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,beta-dibromoethane" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,omega-dibromoethane" RELATED [ChemIDplus] synonym: "DBE" RELATED [NIST_Chemistry_WebBook] @@ -6876,18 +4893,10 @@ synonym: "EDB" RELATED [NIST_Chemistry_WebBook] synonym: "ethylene bromide" RELATED [NIST_Chemistry_WebBook] synonym: "Ethylene dibromide" RELATED [KEGG_COMPOUND] synonym: "sym-Dibromoethane" RELATED [ChemIDplus] -xref: Beilstein:605266 {source="Beilstein"} -xref: CAS:106-93-4 {source="NIST Chemistry WebBook"} -xref: CAS:106-93-4 {source="ChemIDplus"} -xref: CAS:106-93-4 {source="KEGG COMPOUND"} -xref: Gmelin:1913 {source="Gmelin"} xref: HMDB:HMDB0060334 xref: KEGG:C11088 xref: MetaCyc:12-DIBROMOETHANE -xref: PMID:10088182 {source="Europe PMC"} -xref: PMID:11312844 {source="Europe PMC"} xref: PPDB:1484 -xref: Reaxys:605266 {source="Reaxys"} xref: Wikipedia:1\,2-Dibromoethane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22926 ! bromohydrocarbon @@ -6898,13 +4907,6 @@ relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite relationship: RO:0000087 CHEBI:76507 ! has role marine metabolite relationship: RO:0000087 CHEBI:84735 ! has role algal metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4Br2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PAAZPARNPHGIKF-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "187.86116" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.86798" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "BrCCBr" xsd:string [Term] id: CHEBI:28616 @@ -6921,13 +4923,8 @@ synonym: "Aminoformic acid" RELATED [KEGG_COMPOUND] synonym: "Carbamate" RELATED [KEGG_COMPOUND] synonym: "CARBAMIC ACID" EXACT [PDBeChem] synonym: "Carbamic acid" EXACT [KEGG_COMPOUND] -synonym: "carbamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Carbamidsaeure" RELATED [ChEBI] -xref: Beilstein:1734754 {source="Beilstein"} -xref: CAS:463-77-4 {source="KEGG COMPOUND"} -xref: CAS:463-77-4 {source="ChemIDplus"} xref: DrugBank:DB04261 -xref: Gmelin:130345 {source="Gmelin"} xref: KEGG:C01563 xref: PDBeChem:OUT xref: Wikipedia:Carbamic_acid @@ -6936,13 +4933,6 @@ is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_acid_of CHEBI:13941 ! carbamate relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KXDHJXZQYSOELW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04006" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=O" xsd:string [Term] id: CHEBI:28659 @@ -6958,24 +4948,13 @@ synonym: "P" RELATED [KEGG_COMPOUND] synonym: "Phosphor" RELATED [ChEBI] synonym: "phosphore" RELATED [ChEBI] synonym: "Phosphorus" RELATED [KEGG_COMPOUND] -synonym: "phosphorus" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus" RELATED [ChEBI] -xref: CAS:7723-14-0 {source="ChemIDplus"} -xref: CAS:7723-14-0 {source="KEGG COMPOUND"} -xref: Gmelin:16235 {source="Gmelin"} xref: KEGG:C06262 xref: WebElements:P is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33300 ! pnictogen relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "30.97376" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97376" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[P]" xsd:string [Term] id: CHEBI:28694 @@ -6987,29 +4966,18 @@ subset: 3_STAR synonym: "29Cu" RELATED [IUPAC] synonym: "cobre" RELATED [ChEBI] synonym: "Copper" RELATED [KEGG_COMPOUND] -synonym: "copper" EXACT IUPAC_NAME [IUPAC] synonym: "copper" RELATED [ChEBI] -synonym: "Cu" RELATED [ChEBI] synonym: "Cu" RELATED [IUPAC] +synonym: "Cu" RELATED [ChEBI] synonym: "cuivre" RELATED [ChEBI] synonym: "cuprum" RELATED [IUPAC] synonym: "Kupfer" RELATED [ChEBI] -xref: CAS:7440-50-8 {source="ChemIDplus"} -xref: CAS:7440-50-8 {source="KEGG COMPOUND"} -xref: Gmelin:16269 {source="Gmelin"} xref: KEGG:C00070 xref: WebElements:Cu is_a: CHEBI:33366 ! copper group element atom is_a: CHEBI:88184 ! metal allergen relationship: RO:0000087 CHEBI:27027 ! has role micronutrient relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYGMFSIKBFXOCR-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "63.54600" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92960" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu]" xsd:string [Term] id: CHEBI:28741 @@ -7021,23 +4989,12 @@ def: "A metal fluoride salt with a Na(+) counterion." [] subset: 3_STAR synonym: "NaF" RELATED [IUPAC] synonym: "Sodium fluoride" EXACT [KEGG_COMPOUND] -synonym: "sodium fluoride" EXACT IUPAC_NAME [IUPAC] -xref: CAS:7681-49-4 {source="KEGG COMPOUND"} -xref: CAS:7681-49-4 {source="ChemIDplus"} xref: KEGG:C08142 xref: KEGG:D00943 xref: Wikipedia:Sodium_Fluoride is_a: BFO:0000004 ! independent continuant is_a: CHEBI:24060 ! fluoride salt relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "FNa" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Na.F" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH.Na/h1H;/q;+1/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUZPDOWCWNUUKD-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "41.98817" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98817" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[Na+]" xsd:string [Term] id: CHEBI:28775 @@ -7047,7 +5004,6 @@ alt_id: CHEBI:24530 alt_id: CHEBI:5682 def: "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR -synonym: "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-hesperidin" RELATED [UniProt] synonym: "(S)-(-)-hesperidin" RELATED [ChemIDplus] synonym: "Cirantin" RELATED [ChemIDplus] @@ -7055,9 +5011,6 @@ synonym: "Ciratin" RELATED [KEGG_COMPOUND] synonym: "Hesperetin 7-O-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Hesperidin" EXACT [KEGG_COMPOUND] synonym: "Hesperidoside" RELATED [ChemIDplus] -xref: Beilstein:75140 {source="Beilstein"} -xref: CAS:520-26-3 {source="KEGG COMPOUND"} -xref: CAS:520-26-3 {source="ChemIDplus"} xref: DrugBank:DB04703 xref: HMDB:HMDB0003265 xref: KEGG:C09755 @@ -7065,7 +5018,6 @@ xref: KEGG:D01038 xref: KNApSAcK:C00000970 xref: LINCS:LSM-2858 xref: MetaCyc:CPD-7075 -xref: Reaxys:75140 {source="Reaxys"} xref: Wikipedia:Hesperidin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:140332 ! 4'-methoxyflavanones @@ -7077,13 +5029,6 @@ is_a: CHEBI:63353 ! disaccharide derivative is_a: CHEBI:72730 ! flavanone glycoside relationship: has_functional_parent CHEBI:28230 ! hesperetin relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H34O15" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUQPHWDTPGMPEX-QJBIFVCTSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "610.56056" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "610.18977" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1" xsd:string [Term] id: CHEBI:28830 @@ -7096,7 +5041,6 @@ def: "A monocarboxylic acid that is butanoic acid substituted at position 4 by a subset: 3_STAR synonym: "4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid" RELATED [NIST_Chemistry_WebBook] -synonym: "4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Ambochlorin" RELATED [NIST_Chemistry_WebBook] synonym: "CHLORAMBUCIL" EXACT [PDBeChem] synonym: "Chlorambucil" EXACT [KEGG_DRUG] @@ -7105,28 +5049,10 @@ synonym: "gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid" RELATED [NIST_Chem synonym: "Leukeran" RELATED [NIST_Chemistry_WebBook] synonym: "N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "phenylbutyric acid nitrogen mustard" RELATED [ChemIDplus] -xref: Beilstein:999011 {source="Beilstein"} -xref: CAS:305-03-3 {source="ChemIDplus"} -xref: CAS:305-03-3 {source="NIST Chemistry WebBook"} -xref: Drug_Central:588 {source="DrugCentral"} xref: DrugBank:DB00291 xref: KEGG:D00266 xref: LINCS:LSM-2645 xref: PDBeChem:CBL -xref: PMID:22025197 {source="Europe PMC"} -xref: PMID:22978684 {source="Europe PMC"} -xref: PMID:23233721 {source="Europe PMC"} -xref: PMID:23295789 {source="Europe PMC"} -xref: PMID:23521128 {source="Europe PMC"} -xref: PMID:23665800 {source="Europe PMC"} -xref: PMID:23667729 {source="Europe PMC"} -xref: PMID:23683018 {source="Europe PMC"} -xref: PMID:23725434 {source="Europe PMC"} -xref: PMID:23822827 {source="Europe PMC"} -xref: PMID:24098639 {source="Europe PMC"} -xref: PMID:24147900 {source="Europe PMC"} -xref: PMID:24223689 {source="Europe PMC"} -xref: Reaxys:999011 {source="Reaxys"} xref: Wikipedia:Chlorambucil is_a: CHEBI:25384 ! monocarboxylic acid is_a: CHEBI:33860 ! aromatic amine @@ -7137,13 +5063,6 @@ relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent relationship: RO:0000087 CHEBI:35705 ! has role immunosuppressive agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:88188 ! has role drug allergen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H19Cl2NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JCKYGMPEJWAADB-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "304.21160" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.07928" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl" xsd:string [Term] id: CHEBI:28863 @@ -7160,11 +5079,6 @@ xref: MetaCyc:FLAVANONES xref: Wikipedia:Flavanone is_a: CHEBI:38672 ! flavans is_a: CHEBI:3992 ! cyclic ketone -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H2O2R10" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "214.176" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "214.00548" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C2=C(C(C(C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)*" xsd:string [Term] id: CHEBI:28868 @@ -7185,15 +5099,9 @@ synonym: "fatty acid anions" RELATED [ChEBI] synonym: "Fettsaeureanion" RELATED [ChEBI] synonym: "Fettsaeureanionen" RELATED [ChEBI] xref: KEGG:C02403 -xref: PMID:18628202 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid is_a: CHEBI:35757 ! monocarboxylic acid anion relationship: is_conjugate_base_of CHEBI:35366 ! fatty acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:28876 @@ -7206,14 +5114,10 @@ subset: 3_STAR synonym: "3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine" RELATED [ChemIDplus] synonym: "3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine" RELATED [ChemIDplus] synonym: "4-(Bis(2-chloroethyl)amino)-L-phenylalanine" RELATED [ChemIDplus] -synonym: "4-[bis(2-chloroethyl)amino]-L-phenylalanine" EXACT IUPAC_NAME [IUPAC] synonym: "L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine" RELATED [ChemIDplus] synonym: "L-PAM" RELATED [ChemIDplus] synonym: "L-Phenylalanine mustard" RELATED [ChemIDplus] synonym: "L-Sarcolysine" RELATED [ChemIDplus] -synonym: "melfalano" RELATED INN [ChemIDplus] -synonym: "melphalan" RELATED INN [KEGG_DRUG] -synonym: "melphalanum" RELATED INN [ChemIDplus] synonym: "p-Bis(beta-chloroethyl)aminophenylalanine" RELATED [ChemIDplus] synonym: "p-Di-(2-chloroethyl)amino-L-phenylalanine" RELATED [ChemIDplus] synonym: "p-L-Sarcolysin" RELATED [ChemIDplus] @@ -7221,28 +5125,12 @@ synonym: "p-N,N-bis(2-chloroethyl)amino-L-phenylalanine" RELATED [ChEBI] synonym: "p-N-Bis(2-chloroethyl)amino-L-phenylalanine" RELATED [ChemIDplus] synonym: "Phenylalanine mustard" RELATED [ChemIDplus] synonym: "Phenylalanine nitrogen mustard" RELATED [ChemIDplus] -xref: CAS:148-82-3 {source="KEGG DRUG"} -xref: CAS:148-82-3 {source="ChemIDplus"} -xref: Drug_Central:1678 {source="DrugCentral"} xref: DrugBank:DB01042 xref: KEGG:D00369 xref: Patent:US108552 xref: Patent:US275057 xref: Patent:US3032584 xref: Patent:US3032585 -xref: PMID:10820424 {source="Europe PMC"} -xref: PMID:10937717 {source="Europe PMC"} -xref: PMID:11680815 {source="Europe PMC"} -xref: PMID:11914777 {source="Europe PMC"} -xref: PMID:18481314 {source="Europe PMC"} -xref: PMID:445303 {source="Europe PMC"} -xref: PMID:7494795 {source="Europe PMC"} -xref: PMID:7605343 {source="Europe PMC"} -xref: PMID:8552138 {source="Europe PMC"} -xref: PMID:8951232 {source="Europe PMC"} -xref: PMID:9218926 {source="Europe PMC"} -xref: PMID:9250538 {source="Europe PMC"} -xref: Reaxys:2816456 {source="Reaxys"} xref: Wikipedia:Melphalan is_a: CHEBI:36683 ! organochlorine compound is_a: CHEBI:37598 ! nitrogen mustard @@ -7252,13 +5140,6 @@ relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent relationship: RO:0000087 CHEBI:35705 ! has role immunosuppressive agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:88188 ! has role drug allergen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H18Cl2N2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGDBTWWWUNNDEQ-LBPRGKRZSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "305.20000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.07453" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O" xsd:string [Term] id: CHEBI:28901 @@ -7272,33 +5153,13 @@ synonym: "1,4-Bis(methanesulfonoxy)butane" RELATED [ChemIDplus] synonym: "1,4-Butanediol dimethanesulfonate" RELATED [ChemIDplus] synonym: "1,4-Dimesyloxybutane" RELATED [ChemIDplus] synonym: "1,4-Dimethanesulfonoxybutane" RELATED [ChemIDplus] -synonym: "Bisulfex" RELATED BRAND_NAME [ChEBI] synonym: "Busulfan" EXACT [KEGG_DRUG] -synonym: "busulfan" RELATED INN [WHO_MedNet] -synonym: "busulfano" RELATED INN [WHO_MedNet] -synonym: "busulfanum" RELATED INN [WHO_MedNet] -synonym: "butane-1,4-diyl dimethanesulfonate" EXACT IUPAC_NAME [IUPAC] -synonym: "Leucosulfan" RELATED BRAND_NAME [ChEBI] -synonym: "Mablin" RELATED BRAND_NAME [ChEBI] -synonym: "Mielucin" RELATED BRAND_NAME [ChEBI] -synonym: "Misulban" RELATED BRAND_NAME [ChEBI] -synonym: "Mitostan" RELATED BRAND_NAME [ChEBI] -synonym: "Myeloleukon" RELATED BRAND_NAME [ChEBI] -synonym: "Myleran" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Tetramethylene bis(methanesulfonate)" RELATED [ChemIDplus] -xref: Beilstein:1791786 {source="Beilstein"} -xref: CAS:55-98-1 {source="ChemIDplus"} -xref: CAS:55-98-1 {source="KEGG DRUG"} -xref: Drug_Central:438 {source="DrugCentral"} xref: DrugBank:DB01008 xref: KEGG:C06862 xref: KEGG:D00248 xref: LINCS:LSM-5388 xref: Patent:US2917432 -xref: PMID:10523796 {source="Europe PMC"} -xref: PMID:19361744 {source="Europe PMC"} -xref: PMID:19611402 {source="Europe PMC"} -xref: Reaxys:1791786 {source="Reaxys"} xref: Wikipedia:Busulfan is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25223 ! methanesulfonate ester @@ -7308,13 +5169,6 @@ relationship: RO:0000087 CHEBI:35610 ! has role antineoplastic agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:50905 ! has role teratogenic agent relationship: RO:0000087 CHEBI:67105 ! has role insect sterilant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O6S2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COVZYZSDYWQREU-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "246.30200" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "246.02318" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(=O)(=O)OCCCCOS(C)(=O)=O" xsd:string [Term] id: CHEBI:28938 @@ -7326,41 +5180,17 @@ alt_id: CHEBI:7435 def: "An onium cation obtained by protonation of ammonia." [] subset: 3_STAR synonym: "[NH4](+)" RELATED [MolBase] -synonym: "ammonium" EXACT IUPAC_NAME [IUPAC] synonym: "ammonium" EXACT [ChEBI] synonym: "ammonium cation" RELATED [ChemIDplus] synonym: "ammonium ion" RELATED [PDBeChem] synonym: "Ammonium(1+)" RELATED [ChemIDplus] -synonym: "azanium" EXACT IUPAC_NAME [IUPAC] synonym: "NH4(+)" RELATED [UniProt] synonym: "NH4(+)" RELATED [IUPAC] synonym: "NH4+" RELATED [KEGG_COMPOUND] -xref: CAS:14798-03-9 {source="NIST Chemistry WebBook"} -xref: CAS:14798-03-9 {source="ChemIDplus"} -xref: Gmelin:84 {source="Gmelin"} xref: KEGG:C01342 xref: MetaCyc:AMMONIUM xref: MolBase:929 xref: PDBeChem:NH4 -xref: PMID:11319011 {source="Europe PMC"} -xref: PMID:11341317 {source="Europe PMC"} -xref: PMID:12096804 {source="Europe PMC"} -xref: PMID:14512268 {source="Europe PMC"} -xref: PMID:14879753 {source="Europe PMC"} -xref: PMID:16345391 {source="Europe PMC"} -xref: PMID:16903292 {source="Europe PMC"} -xref: PMID:17392693 {source="Europe PMC"} -xref: PMID:18515490 {source="Europe PMC"} -xref: PMID:19199063 {source="Europe PMC"} -xref: PMID:19596600 {source="Europe PMC"} -xref: PMID:19682559 {source="Europe PMC"} -xref: PMID:19716251 {source="Europe PMC"} -xref: PMID:21993530 {source="Europe PMC"} -xref: PMID:22265469 {source="Europe PMC"} -xref: PMID:22524020 {source="Europe PMC"} -xref: PMID:22562341 {source="Europe PMC"} -xref: PMID:22631217 {source="Europe PMC"} -xref: Reaxys:16093784 {source="Reaxys"} xref: Wikipedia:Ammonium is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35106 ! nitrogen hydride @@ -7371,13 +5201,6 @@ relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "18.03850" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.03383" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N+]([H])([H])[H]" xsd:string [Term] id: CHEBI:28954 @@ -7386,20 +5209,11 @@ namespace: chebi_ontology alt_id: CHEBI:24011 alt_id: CHEBI:4968 subset: 3_STAR -synonym: "2-hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridinium" EXACT IUPAC_NAME [IUPAC] synonym: "Fagaronine" EXACT [KEGG_COMPOUND] -xref: CAS:52259-65-1 {source="KEGG COMPOUND"} xref: KEGG:C09438 xref: KNApSAcK:C00001857 is_a: CHEBI:38517 ! benzophenanthridine alkaloid relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OOKZVPUCASIEBL-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "350.38784" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "350.13868" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O" xsd:string [Term] id: CHEBI:28965 @@ -7418,11 +5232,6 @@ synonym: "dicarboxylic acid dianion" EXACT [ChEBI] synonym: "dicarboxylic acid dianions" RELATED [ChEBI] is_a: CHEBI:35693 ! dicarboxylic acid anion is_a: CHEBI:38716 ! carboxylic acid dianion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2O4R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "88.019" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.97966" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[*]C([O-])=O" xsd:string [Term] id: CHEBI:28976 @@ -7435,28 +5244,16 @@ alt_id: CHEBI:3401 subset: 3_STAR synonym: "[CO(OH)2]" RELATED [IUPAC] synonym: "Carbonic acid" EXACT [KEGG_COMPOUND] -synonym: "carbonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Dihydrogen carbonate" RELATED [KEGG_COMPOUND] -synonym: "dihydroxidooxidocarbon" EXACT IUPAC_NAME [IUPAC] synonym: "H2CO3" RELATED [KEGG_COMPOUND] synonym: "H2CO3" RELATED [IUPAC] synonym: "Koehlensaeure" RELATED [ChEBI] -xref: CAS:463-79-6 {source="ChemIDplus"} -xref: CAS:463-79-6 {source="KEGG COMPOUND"} -xref: Gmelin:25554 {source="Gmelin"} xref: KEGG:C01353 xref: PDBeChem:CO3 is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36961 ! chalcocarbonic acid relationship: is_conjugate_acid_of CHEBI:17544 ! hydrogencarbonate relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "62.02478" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.00039" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(O)=O" xsd:string [Term] id: CHEBI:29036 @@ -7468,31 +5265,16 @@ alt_id: CHEBI:49550 def: "An ion of copper carrying a double positive charge." [] subset: 3_STAR synonym: "COPPER (II) ION" RELATED [PDBeChem] -synonym: "copper(2+)" EXACT IUPAC_NAME [IUPAC] -synonym: "copper(2+) ion" EXACT IUPAC_NAME [IUPAC] -synonym: "copper(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" RELATED [ChEBI] synonym: "copper, ion (Cu2+)" RELATED [ChemIDplus] synonym: "Cu(2+)" RELATED [UniProt] synonym: "Cu(II)" RELATED [ChEBI] synonym: "Cu2+" RELATED [ChEBI] synonym: "cupric ion" RELATED [ChEBI] -xref: CAS:15158-11-9 {source="ChemIDplus"} -xref: Gmelin:6855 {source="Gmelin"} xref: PDBeChem:CU -xref: PMID:23900424 {source="Europe PMC"} -xref: PMID:24168430 {source="Europe PMC"} -xref: Reaxys:3587177 {source="Reaxys"} is_a: CHEBI:23378 ! copper cation is_a: CHEBI:30412 ! monoatomic dication is_a: CHEBI:60240 ! divalent metal cation -property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu/q+2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPVYNHNXODAKFH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "63.54600" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92850" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu++]" xsd:string [Term] id: CHEBI:29067 @@ -7510,11 +5292,6 @@ synonym: "carboxylic anions" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion is_a: CHEBI:35406 ! oxoanion relationship: is_conjugate_base_of CHEBI:33575 ! carboxylic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.00950" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:29101 @@ -7528,14 +5305,7 @@ subset: 3_STAR synonym: "Na(+)" RELATED [UniProt] synonym: "Na(+)" RELATED [IUPAC] synonym: "Na+" RELATED [KEGG_COMPOUND] -synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC] synonym: "SODIUM ION" RELATED [PDBeChem] -synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC] -synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC] -synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC] -xref: CAS:17341-25-2 {source="ChemIDplus"} -xref: CAS:17341-25-2 {source="NIST Chemistry WebBook"} -xref: Gmelin:15196 {source="Gmelin"} xref: KEGG:C01330 xref: PDBeChem:NA is_a: BFO:0000004 ! independent continuant @@ -7545,13 +5315,6 @@ is_a: CHEBI:37246 ! elemental sodium is_a: CHEBI:60242 ! monovalent inorganic cation relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/q+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98922" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+]" xsd:string [Term] id: CHEBI:29214 @@ -7561,21 +5324,11 @@ subset: 3_STAR synonym: "[SHO2(OH)]" RELATED [IUPAC] synonym: "acide sulfonique" RELATED [ChEBI] synonym: "HSHO3" RELATED [IUPAC] -synonym: "hydridohydroxidodioxidosulfur" EXACT IUPAC_NAME [IUPAC] -synonym: "sulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfonsaeure" RELATED [ChEBI] synonym: "sulphonic acid" RELATED [ChEBI] -xref: Gmelin:1404640 {source="Gmelin"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:33543 ! sulfonate relationship: is_tautomer_of CHEBI:48854 ! sulfurous acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S(O)(=O)=O" xsd:string [Term] id: CHEBI:29228 @@ -7584,33 +5337,18 @@ namespace: chebi_ontology def: "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." [] subset: 3_STAR synonym: "[HF]" RELATED [IUPAC] -synonym: "fluorane" EXACT IUPAC_NAME [IUPAC] synonym: "Fluoride" RELATED [KEGG_COMPOUND] -synonym: "fluoridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "fluorure d'hydrogene" RELATED [ChEBI] synonym: "Fluorwasserstoff" RELATED [ChEBI] synonym: "HF" RELATED [IUPAC] synonym: "hydrofluoric acid" RELATED [ChemIDplus] synonym: "Hydrogen fluoride" EXACT [KEGG_COMPOUND] -synonym: "hydrogen fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenfluorid" RELATED [ChEBI] -xref: CAS:7664-39-3 {source="NIST Chemistry WebBook"} -xref: CAS:7664-39-3 {source="ChemIDplus"} -xref: CAS:7664-39-3 {source="KEGG COMPOUND"} -xref: Drug_Central:4499 {source="DrugCentral"} -xref: Gmelin:166 {source="Gmelin"} xref: KEGG:C16487 is_a: CHEBI:18140 ! hydrogen halide is_a: CHEBI:37176 ! mononuclear parent hydride relationship: is_conjugate_acid_of CHEBI:17051 ! fluoride relationship: is_conjugate_base_of CHEBI:50314 ! fluoronium -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "FH" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "20.00634" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.00623" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[H]" xsd:string [Term] id: CHEBI:29234 @@ -7623,17 +5361,7 @@ synonym: "(3)H(+)" RELATED [IUPAC] synonym: "t" RELATED [IUPAC] synonym: "T(+)" RELATED [IUPAC] synonym: "t(+)" RELATED [IUPAC] -synonym: "tritium(1+)" EXACT IUPAC_NAME [IUPAC] -synonym: "triton" EXACT IUPAC_NAME [IUPAC] -xref: Gmelin:90855 {source="Gmelin"} is_a: CHEBI:15378 ! hydron -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "T" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/p+1/i/hT" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GPRLSGONYQIRFK-MNYXATJNSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01550" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3H+]" xsd:string [Term] id: CHEBI:29238 @@ -7646,18 +5374,10 @@ synonym: "(3)H" RELATED [IUPAC] synonym: "hydrogen-3" RELATED [ChEBI] synonym: "T" RELATED [IUPAC] synonym: "tritio" RELATED [ChEBI] -synonym: "tritium" EXACT IUPAC_NAME [IUPAC] synonym: "tritium" RELATED [ChEBI] synonym: "ueberschwerer Wasserstoff" RELATED [ChEBI] is_a: CHEBI:49637 ! hydrogen atom relationship: BFO:0000051 CHEBI:29234 ! has part triton -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "T" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H/i1+2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-NJFSPNSNSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01605" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3H]" xsd:string [Term] id: CHEBI:29254 @@ -7665,21 +5385,10 @@ name: dihydrogenborate namespace: chebi_ontology subset: 3_STAR synonym: "[BO(OH)2](-)" RELATED [IUPAC] -synonym: "dihydrogen(trioxidoborate)(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydrogenborate" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydroxidooxidoborate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2BO3(-)" RELATED [IUPAC] -xref: Gmelin:49252 {source="Gmelin"} is_a: CHEBI:22909 ! borate ion relationship: is_conjugate_acid_of CHEBI:29255 ! hydrogenborate relationship: is_conjugate_base_of CHEBI:33118 ! boric acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "BH2O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BH2O3/c2-1(3)4/h2-3H/q-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "URSLCTBXQMKCFE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.82508" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01025" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OB([O-])O[H]" xsd:string [Term] id: CHEBI:29255 @@ -7688,20 +5397,9 @@ namespace: chebi_ontology subset: 3_STAR synonym: "[BO2(OH)](2-)" RELATED [IUPAC] synonym: "HBO3(2-)" RELATED [IUPAC] -synonym: "hydrogen(trioxidoborate)(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogenborate" EXACT IUPAC_NAME [IUPAC] -synonym: "hydroxidodioxidoborate(2-)" EXACT IUPAC_NAME [IUPAC] -xref: Gmelin:674511 {source="Gmelin"} is_a: CHEBI:22909 ! borate ion relationship: is_conjugate_acid_of CHEBI:22908 ! borate relationship: is_conjugate_base_of CHEBI:29254 ! dihydrogenborate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "BHO3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BHO3/c2-1(3)4/h2H/q-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JSSGFLRDNVXLHY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "59.81714" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.00297" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OB([O-])[O-]" xsd:string [Term] id: CHEBI:29281 @@ -7721,21 +5419,11 @@ id: CHEBI:29337 name: azanide namespace: chebi_ontology subset: 3_STAR -synonym: "amide" EXACT IUPAC_NAME [IUPAC] -synonym: "azanide" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydridonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "NH2(-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:29340 ! hydridonitrate(2-) relationship: is_conjugate_base_of CHEBI:16134 ! ammonia -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N/h1H2/q-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HYGWNUKOUCZBND-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "16.02262" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.01927" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][N-][H]" xsd:string [Term] id: CHEBI:29340 @@ -7743,20 +5431,11 @@ name: hydridonitrate(2-) namespace: chebi_ontology def: "A divalent inorganic anion resulting from the removal of two protons from ammonia." [] subset: 3_STAR -synonym: "azanediide" EXACT IUPAC_NAME [IUPAC] -synonym: "hydridonitrate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "imide" RELATED [IUPAC] synonym: "NH(2-)" RELATED [IUPAC] is_a: CHEBI:35106 ! nitrogen hydride is_a: CHEBI:79388 ! divalent inorganic anion relationship: is_conjugate_base_of CHEBI:29337 ! azanide -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HN" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HN/h1H/q-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DZQYTNGKSBCIOE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.01468" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.01200" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[N--][H]" xsd:string [Term] id: CHEBI:29347 @@ -7770,11 +5449,6 @@ def: "A carboxamide derived from a monocarboxylic acid." [] subset: 3_STAR synonym: "monocarboxylic acid amides" RELATED [ChEBI] is_a: CHEBI:37622 ! carboxamide -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])C([*])=O" xsd:string [Term] id: CHEBI:29785 @@ -7782,14 +5456,8 @@ name: nitro group namespace: chebi_ontology subset: 3_STAR synonym: "-NO2" RELATED [IUPAC] -synonym: "nitro" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "46.00550" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "45.99290" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*[N+](=O)[O-]" xsd:string [Term] id: CHEBI:29865 @@ -7806,35 +5474,13 @@ synonym: "3,4-BP" RELATED [NIST_Chemistry_WebBook] synonym: "Benzo(a)pyrene" RELATED [ChemIDplus] synonym: "Benzo[a]pyrene" EXACT [KEGG_COMPOUND] synonym: "benzo[def]chrysene" RELATED [ChEBI] -synonym: "benzo[pqr]tetraphene" EXACT IUPAC_NAME [IUPAC] synonym: "Benzpyrene" RELATED [KEGG_COMPOUND] synonym: "BP" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:1911333 {source="Beilstein"} -xref: CAS:50-32-8 {source="ChemIDplus"} -xref: CAS:50-32-8 {source="NIST Chemistry WebBook"} -xref: CAS:50-32-8 {source="KEGG COMPOUND"} -xref: Gmelin:262573 {source="Gmelin"} xref: KEGG:C07535 xref: LINCS:LSM-2198 -xref: PMID:11932001 {source="Europe PMC"} -xref: PMID:16256111 {source="Europe PMC"} -xref: PMID:16381670 {source="Europe PMC"} -xref: PMID:1844333 {source="Europe PMC"} -xref: PMID:26530167 {source="Europe PMC"} -xref: PMID:26703252 {source="Europe PMC"} -xref: PMID:7561049 {source="Europe PMC"} -xref: PMID:7721048 {source="Europe PMC"} -xref: Reaxys:1911333 {source="Reaxys"} xref: Wikipedia:Benzo(a)pyrene is_a: CHEBI:35300 ! ortho- and peri-fused polycyclic arene relationship: RO:0000087 CHEBI:75771 ! has role mouse metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H12" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FMMWHPNWAFZXNH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "252.30928" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "252.09390" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34" xsd:string [Term] id: CHEBI:29922 @@ -7842,18 +5488,10 @@ name: sulfo group namespace: chebi_ontology subset: 3_STAR synonym: "-S(O)2(OH)" RELATED [IUPAC] -synonym: "hydroxydioxo-lambda(6)-sulfanyl" EXACT IUPAC_NAME [IUPAC] -synonym: "hydroxysulfonyl" EXACT IUPAC_NAME [IUPAC] -synonym: "sulfo" EXACT IUPAC_NAME [IUPAC] synonym: "SULFO GROUP" EXACT [PDBeChem] xref: PDBeChem:SFO is_a: CHEBI:33246 ! inorganic group relationship: is_substituent_group_from CHEBI:29214 ! sulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96464" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(O)(*)=O" xsd:string [Term] id: CHEBI:29985 @@ -7864,14 +5502,11 @@ alt_id: CHEBI:21301 def: "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group" [] subset: 3_STAR synonym: "(2S)-2-ammoniopentanedioate" RELATED [IUPAC] -synonym: "hydrogen L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate" RELATED [ChEBI] synonym: "L-glutamate" RELATED [UniProt] synonym: "L-glutamate(1-)" EXACT [JCBN] synonym: "L-glutamic acid monoanion" RELATED [JCBN] synonym: "L-glutamic acid, ion(1-)" RELATED [ChemIDplus] -xref: CAS:11070-68-1 {source="ChemIDplus"} -xref: Gmelin:936654 {source="Gmelin"} xref: MetaCyc:GLT is_a: CHEBI:14321 ! glutamate(1-) is_a: CHEBI:62031 ! polar amino acid zwitterion @@ -7881,13 +5516,6 @@ relationship: is_enantiomer_of CHEBI:29986 ! D-glutamate(1-) relationship: RO:0000087 CHEBI:24319 ! has role EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:77746 ! has role human metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29986 @@ -7901,20 +5529,11 @@ synonym: "(2R)-2-ammoniopentanedioate" RELATED [IUPAC] synonym: "D-glutamate" RELATED [UniProt] synonym: "D-glutamate(1-)" EXACT [JCBN] synonym: "D-glutamic acid monoanion" RELATED [JCBN] -synonym: "hydrogen D-glutamate" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:8319427 {source="Beilstein"} xref: MetaCyc:D-GLT is_a: CHEBI:14321 ! glutamate(1-) relationship: is_conjugate_acid_of CHEBI:29989 ! D-glutamate(2-) relationship: is_conjugate_base_of CHEBI:15966 ! D-glutamic acid relationship: is_enantiomer_of CHEBI:29985 ! L-glutamate(1-) -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "146.12136" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.04588" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29987 @@ -7922,24 +5541,12 @@ name: glutamate(2-) namespace: chebi_ontology def: "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-)." [] subset: 3_STAR -synonym: "2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] -synonym: "glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "glutamate(2-)" EXACT [JCBN] synonym: "glutamic acid dianion" RELATED [JCBN] -xref: Beilstein:4134100 {source="Beilstein"} -xref: Gmelin:327903 {source="Gmelin"} -xref: Reaxys:4134100 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:28965 ! dicarboxylic acid dianion relationship: is_conjugate_base_of CHEBI:14321 ! glutamate(1-) relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29988 @@ -7947,44 +5554,23 @@ name: L-glutamate(2-) namespace: chebi_ontology def: "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid." [] subset: 3_STAR -synonym: "(2S)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] -synonym: "L-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "L-glutamate(2-)" EXACT [JCBN] synonym: "L-glutamic acid dianion" RELATED [JCBN] -xref: Gmelin:327905 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) is_a: CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:29985 ! L-glutamate(1-) relationship: is_enantiomer_of CHEBI:29989 ! D-glutamate(2-) -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-VKHMYHEASA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:29989 name: D-glutamate(2-) namespace: chebi_ontology subset: 3_STAR -synonym: "(2R)-2-aminopentanedioate" EXACT IUPAC_NAME [IUPAC] -synonym: "D-glutamate" EXACT IUPAC_NAME [IUPAC] synonym: "D-glutamate(2-)" EXACT [JCBN] synonym: "D-glutamic acid dianion" RELATED [JCBN] -xref: Beilstein:8143000 {source="Beilstein"} -xref: Gmelin:327904 {source="Gmelin"} is_a: CHEBI:29987 ! glutamate(2-) relationship: is_conjugate_base_of CHEBI:29986 ! D-glutamate(1-) relationship: is_enantiomer_of CHEBI:29988 ! L-glutamate(2-) -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H7NO4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-GSVOUGTGSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "145.11342" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.03860" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:30087 @@ -7994,19 +5580,9 @@ subset: 3_STAR synonym: "[C(NH2)3](+)" RELATED [ChEBI] synonym: "diaminomethaniminium" RELATED [IUPAC] synonym: "guanidine" RELATED [UniProt] -synonym: "guanidinium" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:1902006 {source="Beilstein"} -xref: Gmelin:239627 {source="Gmelin"} is_a: CHEBI:60251 ! guanidinium ion relationship: is_conjugate_acid_of CHEBI:42820 ! guanidine relationship: is_conjugate_acid_of CHEBI:616459 ! carbamimidoylazanium -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH6N3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRALSGWEFCBTJO-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.07856" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.05562" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=[NH2+]" xsd:string [Term] id: CHEBI:30412 @@ -8020,9 +5596,6 @@ synonym: "divalent inorganic cations" RELATED [ChEBI] synonym: "monoatomic dications" RELATED [ChEBI] xref: KEGG:C00572 is_a: CHEBI:23906 ! monoatomic cation -property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*++]" xsd:string [Term] id: CHEBI:30751 @@ -8039,7 +5612,6 @@ synonym: "aminic acid" RELATED [ChemIDplus] synonym: "bilorin" RELATED [ChemIDplus] synonym: "FORMIC ACID" EXACT [PDBeChem] synonym: "Formic acid" EXACT [KEGG_COMPOUND] -synonym: "formic acid" EXACT IUPAC_NAME [IUPAC] synonym: "formylic acid" RELATED [ChemIDplus] synonym: "H-COOH" RELATED [IUPAC] synonym: "HCO2H" RELATED [ChEBI] @@ -8047,44 +5619,14 @@ synonym: "HCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "hydrogen carboxylic acid" RELATED [ChemIDplus] synonym: "Methanoic acid" RELATED [KEGG_COMPOUND] synonym: "methoic acid" RELATED [ChEBI] -xref: Beilstein:1209246 {source="Beilstein"} xref: BPDB:1749 -xref: CAS:64-18-6 {source="NIST Chemistry WebBook"} -xref: CAS:64-18-6 {source="ChemIDplus"} -xref: CAS:64-18-6 {source="KEGG COMPOUND"} xref: DrugBank:DB01942 -xref: Gmelin:1008 {source="Gmelin"} xref: HMDB:HMDB0000142 xref: KEGG:C00058 xref: KNApSAcK:C00001182 -xref: LIPID_MAPS_instance:LMFA01010040 {source="LIPID MAPS"} xref: MetaCyc:FORMATE xref: Patent:CN101481304 xref: PDBeChem:FMT -xref: PMID:12591956 {source="Europe PMC"} -xref: PMID:14637377 {source="Europe PMC"} -xref: PMID:15811469 {source="Europe PMC"} -xref: PMID:16120414 {source="Europe PMC"} -xref: PMID:16185830 {source="Europe PMC"} -xref: PMID:16222862 {source="Europe PMC"} -xref: PMID:16230297 {source="Europe PMC"} -xref: PMID:16445901 {source="Europe PMC"} -xref: PMID:16465784 {source="Europe PMC"} -xref: PMID:18034701 {source="Europe PMC"} -xref: PMID:18397576 {source="Europe PMC"} -xref: PMID:22080171 {source="Europe PMC"} -xref: PMID:22280475 {source="Europe PMC"} -xref: PMID:22304812 {source="Europe PMC"} -xref: PMID:22385261 {source="Europe PMC"} -xref: PMID:22447125 {source="Europe PMC"} -xref: PMID:22483350 {source="Europe PMC"} -xref: PMID:22499553 {source="Europe PMC"} -xref: PMID:22540994 {source="Europe PMC"} -xref: PMID:22606986 {source="Europe PMC"} -xref: PMID:22622393 {source="Europe PMC"} -xref: PMID:3946945 {source="Europe PMC"} -xref: PMID:7361809 {source="Europe PMC"} -xref: Reaxys:1209246 {source="Reaxys"} xref: Wikipedia:Formic_acid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:15740 ! formate @@ -8092,13 +5634,6 @@ relationship: RO:0000087 CHEBI:25212 ! has role metabolite relationship: RO:0000087 CHEBI:33282 ! has role antibacterial agent relationship: RO:0000087 CHEBI:48356 ! has role protic solvent relationship: RO:0000087 CHEBI:74783 ! has role astringent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "46.02538" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.00548" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(O)=O" xsd:string [Term] id: CHEBI:30879 @@ -8110,15 +5645,9 @@ alt_id: CHEBI:2553 def: "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." [] subset: 3_STAR synonym: "Alcohol" EXACT [KEGG_COMPOUND] -synonym: "alcohols" EXACT IUPAC_NAME [IUPAC] synonym: "an alcohol" RELATED [UniProt] xref: KEGG:C00069 is_a: CHEBI:33822 ! organic hydroxy compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HOR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "17.007" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[*]" xsd:string [Term] id: CHEBI:30969 @@ -8129,16 +5658,10 @@ alt_id: CHEBI:2954 subset: 3_STAR synonym: "azacyclopropane" RELATED [NIST_Chemistry_WebBook] synonym: "Aziridine" EXACT [KEGG_COMPOUND] -synonym: "aziridine" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyleneimine" RELATED [NIST_Chemistry_WebBook] synonym: "EI" RELATED [NIST_Chemistry_WebBook] synonym: "ethyleneimine" RELATED [ChemIDplus] synonym: "ethylenimine" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:102380 {source="Beilstein"} -xref: CAS:151-56-4 {source="NIST Chemistry WebBook"} -xref: CAS:151-56-4 {source="KEGG COMPOUND"} -xref: CAS:151-56-4 {source="ChemIDplus"} -xref: Gmelin:616 {source="Gmelin"} xref: KEGG:C11687 is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22681 ! aziridines @@ -8146,13 +5669,6 @@ is_a: CHEBI:36389 ! saturated organic heteromonocyclic parent is_a: CHEBI:37949 ! azacycloalkane relationship: is_conjugate_base_of CHEBI:50929 ! aziridinium relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NOWKCMXCCJGMRR-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "43.06784" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.04220" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1CN1" xsd:string [Term] id: CHEBI:31011 @@ -8164,27 +5680,13 @@ def: "A short-chain fatty acid anion that is the conjugate base of valeric acid; subset: 3_STAR synonym: "CH3-[CH2]3-COO(-)" RELATED [IUPAC] synonym: "n-propylacetate" RELATED [ChEBI] -synonym: "pentanoate" EXACT IUPAC_NAME [IUPAC] synonym: "pentanoate" RELATED [UniProt] synonym: "pentanoic acid, ion(1-)" RELATED [ChemIDplus] -xref: Beilstein:3903735 {source="Beilstein"} -xref: CAS:10023-74-2 {source="ChemIDplus"} -xref: Gmelin:325619 {source="Gmelin"} -xref: PMID:17314444 {source="Europe PMC"} -xref: PMID:18783570 {source="Europe PMC"} -xref: Reaxys:3903735 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:58951 ! short-chain fatty acid anion is_a: CHEBI:58954 ! straight-chain saturated fatty acid anion relationship: is_conjugate_base_of CHEBI:17418 ! valeric acid relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQPDZGIKBAWPEJ-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "101.12376" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.06080" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC([O-])=O" xsd:string [Term] id: CHEBI:32456 @@ -8197,22 +5699,11 @@ synonym: "2-amino-3-sulfanylpropanoate" RELATED [IUPAC] synonym: "cys(-)" RELATED [IUPAC] synonym: "cysteinate(1-)" EXACT [JCBN] synonym: "cysteine monoanion" RELATED [JCBN] -synonym: "hydrogen cysteinate" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:4128885 {source="Beilstein"} -xref: Gmelin:363235 {source="Gmelin"} -xref: Reaxys:4128885 {source="Reaxys"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63470 ! sulfur-containing amino-acid anion relationship: is_conjugate_acid_of CHEBI:32457 ! cysteinate(2-) relationship: is_conjugate_base_of CHEBI:15356 ! cysteine relationship: is_conjugate_base_of CHEBI:35237 ! cysteine zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6NO2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.15128" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.01247" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C([O-])=O" xsd:string [Term] id: CHEBI:32457 @@ -8220,19 +5711,10 @@ name: cysteinate(2-) namespace: chebi_ontology subset: 3_STAR synonym: "2-amino-3-sulfidopropanoate" RELATED [IUPAC] -synonym: "cysteinate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteinate(2-)" EXACT [JCBN] synonym: "cysteine dianion" RELATED [JCBN] -xref: Gmelin:49990 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:32456 ! cysteinate(1-) -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5NO2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "119.14334" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.00520" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(C[S-])C([O-])=O" xsd:string [Term] id: CHEBI:32458 @@ -8240,21 +5722,12 @@ name: cysteinium namespace: chebi_ontology subset: 3_STAR synonym: "1-carboxy-2-mercaptoethanaminium" RELATED [ChEBI] -synonym: "1-carboxy-2-sulfanylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine cation" RELATED [JCBN] synonym: "cysteinium" EXACT [JCBN] synonym: "H2cys(+)" RELATED [IUPAC] -xref: Gmelin:325859 {source="Gmelin"} is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:15356 ! cysteine relationship: is_conjugate_acid_of CHEBI:35237 ! cysteine zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8NO2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "122.16716" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.02703" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C(O)=O" xsd:string [Term] id: CHEBI:32486 @@ -8263,12 +5736,7 @@ namespace: chebi_ontology def: "An optically active form of phenylalaninate having L-configuration." [] subset: 3_STAR synonym: "(2S)-2-amino-3-phenylpropanoate" RELATED [IUPAC] -synonym: "L-phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "L-phenylalanine anion" RELATED [JCBN] -xref: Beilstein:4136718 {source="Beilstein"} -xref: Gmelin:329084 {source="Gmelin"} -xref: PMID:21956539 {source="Europe PMC"} -xref: Reaxys:4136718 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32504 ! phenylalaninate is_a: CHEBI:59814 ! L-alpha-amino acid anion @@ -8277,13 +5745,6 @@ relationship: is_enantiomer_of CHEBI:32494 ! D-phenylalaninate relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32487 @@ -8293,8 +5754,6 @@ def: "An optically active form of phenylalaninium having L-configuration." [] subset: 3_STAR synonym: "(1S)-1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "L-phenylalanine cation" RELATED [JCBN] -synonym: "L-phenylalaninium" EXACT IUPAC_NAME [IUPAC] -xref: PMID:21956539 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:32505 ! phenylalaninium relationship: is_conjugate_acid_of CHEBI:17295 ! L-phenylalanine @@ -8302,13 +5761,6 @@ relationship: is_enantiomer_of CHEBI:32495 ! D-phenylalaninium relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:76971 ! has role Escherichia coli metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32494 @@ -8317,20 +5769,10 @@ namespace: chebi_ontology def: "The D-enantiomer of phenylalaninate." [] subset: 3_STAR synonym: "(2R)-2-amino-3-phenylpropanoate" RELATED [IUPAC] -synonym: "D-phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "D-phenylalanine anion" RELATED [JCBN] -xref: Beilstein:5740552 {source="Beilstein"} -xref: Gmelin:746993 {source="Gmelin"} is_a: CHEBI:32504 ! phenylalaninate relationship: is_conjugate_base_of CHEBI:16998 ! D-phenylalanine relationship: is_enantiomer_of CHEBI:32486 ! L-phenylalaninate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32495 @@ -8340,17 +5782,9 @@ def: "An optically active form of phenylalaninium having D-configuration." [] subset: 3_STAR synonym: "(1R)-1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "D-phenylalanine cation" RELATED [JCBN] -synonym: "D-phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32505 ! phenylalaninium relationship: is_conjugate_acid_of CHEBI:16998 ! D-phenylalanine relationship: is_enantiomer_of CHEBI:32487 ! L-phenylalaninium -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32504 @@ -8359,19 +5793,10 @@ namespace: chebi_ontology def: "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoate" RELATED [IUPAC] -synonym: "phenylalaninate" EXACT IUPAC_NAME [IUPAC] synonym: "phenylalanine anion" RELATED [JCBN] -xref: Gmelin:329083 {source="Gmelin"} is_a: CHEBI:33558 ! alpha-amino-acid anion is_a: CHEBI:63473 ! aromatic amino-acid anion relationship: is_conjugate_base_of CHEBI:28044 ! phenylalanine -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "164.18120" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.07170" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:32505 @@ -8381,16 +5806,8 @@ def: "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, ar subset: 3_STAR synonym: "1-carboxy-2-phenylethanaminium" RELATED [IUPAC] synonym: "phenylalanine cation" RELATED [JCBN] -synonym: "phenylalaninium" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33719 ! alpha-amino-acid cation relationship: is_conjugate_acid_of CHEBI:28044 ! phenylalanine -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H12NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "166.19710" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.08626" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:32955 @@ -8404,19 +5821,12 @@ subset: 3_STAR synonym: "Alkene oxide" RELATED [KEGG_COMPOUND] synonym: "an epoxide" RELATED [UniProt] synonym: "Epoxide" EXACT [KEGG_COMPOUND] -synonym: "epoxides" EXACT IUPAC_NAME [IUPAC] synonym: "epoxides" RELATED [ChEBI] synonym: "Olefin oxide" RELATED [KEGG_COMPOUND] xref: KEGG:C00722 -xref: PMID:10891060 {source="Europe PMC"} xref: Wikipedia:Epoxide is_a: CHEBI:37407 ! cyclic ether relationship: has_parent_hydride CHEBI:27561 ! oxirane -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2OR4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "40.02080" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C1([*])OC1([*])[*]" xsd:string [Term] id: CHEBI:32988 @@ -8427,7 +5837,6 @@ alt_id: CHEBI:2633 def: "An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "Amide" EXACT [KEGG_COMPOUND] -synonym: "amides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00241 is_a: CHEBI:51143 ! nitrogen molecular entity @@ -8447,14 +5856,7 @@ synonym: "boric acid" EXACT [IUPAC] synonym: "boron trihydroxide" RELATED [NIST_Chemistry_WebBook] synonym: "H3BO3" RELATED [IUPAC] synonym: "orthoboric acid" RELATED [NIST_Chemistry_WebBook] -synonym: "trihydroxidoboron" EXACT IUPAC_NAME [IUPAC] xref: BPDB:2136 -xref: CAS:10043-35-3 {source="NIST Chemistry WebBook"} -xref: CAS:10043-35-3 {source="ChemIDplus"} -xref: CAS:10043-35-3 {source="KEGG COMPOUND"} -xref: CAS:11113-50-1 {source="ChemIDplus"} -xref: Drug_Central:3035 {source="DrugCentral"} -xref: Gmelin:1585 {source="Gmelin"} xref: KEGG:C12486 xref: KEGG:D01089 xref: MolBase:1644 @@ -8463,13 +5865,6 @@ xref: PPDB:2136 is_a: CHEBI:59765 ! boric acids relationship: is_conjugate_acid_of CHEBI:29254 ! dihydrogenborate relationship: RO:0000087 CHEBI:74783 ! has role astringent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "BH3O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BH3O3/c2-1(3)4/h2-4H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KGBXLFKZBHKPEV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "61.83302" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.01752" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OB(O[H])O[H]" xsd:string [Term] id: CHEBI:33145 @@ -8515,7 +5910,6 @@ name: fundamental particle namespace: chebi_ontology def: "A particle not known to have substructure." [] subset: 3_STAR -synonym: "elementary particle" EXACT IUPAC_NAME [IUPAC] synonym: "elementary particles" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle @@ -8536,8 +5930,6 @@ namespace: chebi_ontology def: "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands)." [] subset: 3_STAR synonym: "coordination compounds" RELATED [ChEBI] -synonym: "coordination entities" EXACT IUPAC_NAME [IUPAC] -synonym: "coordination entity" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37577 ! heteroatomic molecular entity [Term] @@ -8598,7 +5990,6 @@ synonym: "groupe hydrocarbyle" RELATED [IUPAC] synonym: "grupo hidrocarbilo" RELATED [IUPAC] synonym: "grupos hidrocarbilo" RELATED [IUPAC] synonym: "hydrocarbyl group" EXACT [IUPAC] -synonym: "hydrocarbyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33249 ! organyl group relationship: is_substituent_group_from CHEBI:24632 ! hydrocarbon @@ -8611,8 +6002,6 @@ subset: 3_STAR synonym: "groupe organyle" RELATED [IUPAC] synonym: "grupo organilo" RELATED [IUPAC] synonym: "grupos organilo" RELATED [IUPAC] -synonym: "organyl group" EXACT IUPAC_NAME [IUPAC] -synonym: "organyl groups" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51447 ! organic univalent group [Term] @@ -8623,7 +6012,6 @@ alt_id: CHEBI:22671 alt_id: CHEBI:23907 def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] subset: 3_STAR -synonym: "atom" EXACT IUPAC_NAME [IUPAC] synonym: "atome" RELATED [IUPAC] synonym: "atomo" RELATED [IUPAC] synonym: "atoms" RELATED [ChEBI] @@ -8642,13 +6030,6 @@ subset: 3_STAR synonym: "atomic hydrogen" RELATED [ChEBI] is_a: CHEBI:33238 ! monoatomic entity is_a: CHEBI:33260 ! elemental hydrogen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "1.00794" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]" xsd:string [Term] id: CHEBI:33252 @@ -8663,7 +6044,6 @@ synonym: "noyau atomique" RELATED [ChEBI] synonym: "nuclei" RELATED [ChEBI] synonym: "nucleo" RELATED [IUPAC] synonym: "nucleo atomico" RELATED [ChEBI] -synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] synonym: "nucleus atomi" RELATED [ChEBI] is_a: CHEBI:36347 ! nuclear particle relationship: BFO:0000051 CHEBI:33253 ! has part nucleon @@ -8675,7 +6055,6 @@ namespace: chebi_ontology def: "Heavy nuclear particle: proton or neutron." [] subset: 3_STAR synonym: "nucleon" EXACT [IUPAC] -synonym: "nucleon" EXACT IUPAC_NAME [IUPAC] synonym: "nucleons" RELATED [ChEBI] synonym: "Nukleon" RELATED [ChEBI] synonym: "Nukleonen" RELATED [ChEBI] @@ -8689,7 +6068,6 @@ namespace: chebi_ontology def: "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." [] subset: 3_STAR synonym: "primary amide" EXACT [IUPAC] -synonym: "primary amides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:32988 ! amide [Term] @@ -8761,12 +6139,6 @@ synonym: "antimicrobial agents" RELATED [ChEBI] synonym: "antimicrobials" RELATED [ChEBI] synonym: "microbicide" RELATED [ChEBI] synonym: "microbicides" RELATED [ChEBI] -xref: PMID:12964249 {source="Europe PMC"} -xref: PMID:22117953 {source="Europe PMC"} -xref: PMID:22439833 {source="Europe PMC"} -xref: PMID:22849268 {source="Europe PMC"} -xref: PMID:22849276 {source="Europe PMC"} -xref: PMID:22958833 {source="Europe PMC"} is_a: CHEBI:24432 ! biological role [Term] @@ -8854,7 +6226,6 @@ synonym: "nitrogenoideos" RELATED [ChEBI] synonym: "nitrogenoides" RELATED [ChEBI] synonym: "pnictogene" RELATED [ChEBI] synonym: "pnictogenes" RELATED [ChEBI] -synonym: "pnictogens" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33560 ! p-block element atom [Term] @@ -8878,15 +6249,12 @@ synonym: "anfigeno" RELATED [ChEBI] synonym: "anfigenos" RELATED [ChEBI] synonym: "calcogeno" RELATED [ChEBI] synonym: "calcogenos" RELATED [ChEBI] -synonym: "chalcogen" EXACT IUPAC_NAME [IUPAC] synonym: "chalcogene" RELATED [ChEBI] synonym: "chalcogenes" RELATED [ChEBI] -synonym: "chalcogens" EXACT IUPAC_NAME [IUPAC] synonym: "Chalkogen" RELATED [ChEBI] synonym: "Chalkogene" RELATED [ChEBI] synonym: "group 16 elements" RELATED [ChEBI] synonym: "group VI elements" RELATED [ChEBI] -xref: PMID:17084588 {source="Europe PMC"} is_a: CHEBI:33560 ! p-block element atom [Term] @@ -8911,7 +6279,6 @@ synonym: "carbon group elements" RELATED [ChEBI] synonym: "carbonoides" RELATED [ChEBI] synonym: "cristallogene" RELATED [ChEBI] synonym: "cristallogenes" RELATED [ChEBI] -synonym: "group 14 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group IV elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom @@ -8927,16 +6294,10 @@ subset: 3_STAR synonym: "a carboxylic ester" RELATED [UniProt] synonym: "carboxylic acid esters" RELATED [ChEBI] synonym: "Carboxylic ester" EXACT [KEGG_COMPOUND] -synonym: "carboxylic esters" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02391 xref: Wikipedia:Ester is_a: CHEBI:35701 ! ester is_a: CHEBI:36586 ! carbonyl compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)O[*]" xsd:string [Term] id: CHEBI:33317 @@ -8946,7 +6307,6 @@ subset: 3_STAR synonym: "boron group element" RELATED [ChEBI] synonym: "boron group elements" RELATED [ChEBI] synonym: "Element der Borgruppe" RELATED [ChEBI] -synonym: "group 13 elements" EXACT IUPAC_NAME [IUPAC] synonym: "group III elements" RELATED [ChEBI] is_a: CHEBI:33560 ! p-block element atom @@ -8959,7 +6319,6 @@ subset: 3_STAR synonym: "Hauptgruppenelement" RELATED [ChEBI] synonym: "Hauptgruppenelemente" RELATED [ChEBI] synonym: "main group element" RELATED [ChEBI] -synonym: "main group elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33250 ! atom [Term] @@ -8968,7 +6327,6 @@ name: aryl group namespace: chebi_ontology def: "A group derived from an arene by removal of a hydrogen atom from a ring carbon atom." [] subset: 3_STAR -synonym: "aryl groups" EXACT IUPAC_NAME [IUPAC] synonym: "Arylgruppe" RELATED [ChEBI] synonym: "groupe aryle" RELATED [IUPAC] synonym: "grupos arilo" RELATED [IUPAC] @@ -8980,7 +6338,6 @@ id: CHEBI:33362 name: nickel group element atom namespace: chebi_ontology subset: 3_STAR -synonym: "group 10 elements" EXACT IUPAC_NAME [IUPAC] synonym: "nickel group element" RELATED [ChEBI] synonym: "nickel group elements" RELATED [ChEBI] is_a: CHEBI:33561 ! d-block element atom @@ -8994,20 +6351,10 @@ synonym: "78Pt" RELATED [IUPAC] synonym: "Platin" RELATED [ChEBI] synonym: "platine" RELATED [ChEBI] synonym: "platino" RELATED [ChEBI] -synonym: "platinum" EXACT IUPAC_NAME [IUPAC] synonym: "Pt" RELATED [IUPAC] -xref: CAS:7440-06-4 {source="NIST Chemistry WebBook"} -xref: CAS:7440-06-4 {source="ChemIDplus"} xref: WebElements:Pt is_a: CHEBI:33362 ! nickel group element atom is_a: CHEBI:33365 ! platinum group metal atom -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Pt" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pt" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BASFCYQUMIYNBI-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "195.078" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.96479" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pt]" xsd:string [Term] id: CHEBI:33365 @@ -9031,7 +6378,6 @@ subset: 3_STAR synonym: "coinage metals" RELATED [ChEBI] synonym: "copper group element" RELATED [ChEBI] synonym: "copper group elements" RELATED [ChEBI] -synonym: "group 11 elements" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33561 ! d-block element atom [Term] @@ -9050,7 +6396,6 @@ name: hydracid namespace: chebi_ontology def: "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." [] subset: 3_STAR -synonym: "hydracid" EXACT IUPAC_NAME [IUPAC] synonym: "hydracids" RELATED [ChEBI] is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33608 ! hydrogen molecular entity @@ -9084,9 +6429,6 @@ subset: 3_STAR synonym: "monoatomic monoanions" RELATED [ChEBI] is_a: CHEBI:23905 ! monoatomic anion is_a: CHEBI:36830 ! monoanion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "0.00000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*-]" xsd:string [Term] id: CHEBI:33431 @@ -9104,10 +6446,6 @@ subset: 3_STAR synonym: "atomic chlorine" RELATED [ChEBI] is_a: CHEBI:33431 ! elemental chlorine is_a: CHEBI:33433 ! monoatomic halogen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "35.453" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string [Term] id: CHEBI:33433 @@ -9133,7 +6471,6 @@ namespace: chebi_ontology def: "Arylmethyl groups and derivatives formed by substitution: ArCR2-." [] subset: 3_STAR synonym: "benzylic group" EXACT [IUPAC] -synonym: "benzylic groups" EXACT IUPAC_NAME [IUPAC] synonym: "benzylic groups" RELATED [ChEBI] synonym: "groupe benzylique" RELATED [IUPAC] is_a: CHEBI:33249 ! organyl group @@ -9245,7 +6582,6 @@ synonym: "metal element" RELATED [ChEBI] synonym: "metal elements" RELATED [ChEBI] synonym: "metals" RELATED [ChEBI] xref: KEGG:C00050 -xref: PMID:21784043 {source="Europe PMC"} xref: Wikipedia:Metal is_a: CHEBI:33250 ! atom @@ -9256,19 +6592,10 @@ namespace: chebi_ontology def: "The sulfur oxoanion formed by deprotonation of sulfonic acid." [] subset: 3_STAR synonym: "[SHO3](-)" RELATED [IUPAC] -synonym: "hydridotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "SHO3(-)" RELATED [IUPAC] synonym: "sulfonates" RELATED [ChEBI] -xref: Gmelin:971569 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_base_of CHEBI:29214 ! sulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDHFUVZGWQCTTF-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07214" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96519" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:33551 @@ -9284,11 +6611,6 @@ is_a: CHEBI:64709 ! organic acid relationship: BFO:0000051 CHEBI:29922 ! has part sulfo group relationship: BFO:0000051 CHEBI:33249 ! has part organyl group relationship: is_conjugate_acid_of CHEBI:33554 ! organosulfonate oxoanion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO3SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "81.07100" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.96464" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS([*])(=O)=O" xsd:string [Term] id: CHEBI:33552 @@ -9313,11 +6635,6 @@ synonym: "organosulfonates" RELATED [ChEBI] is_a: CHEBI:25696 ! organic anion relationship: has_functional_parent CHEBI:33543 ! sulfonate relationship: is_conjugate_base_of CHEBI:33551 ! organosulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O3SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "80.064" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95681" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*S([O-])(=O)=O" xsd:string [Term] id: CHEBI:33555 @@ -9396,23 +6713,14 @@ synonym: "acido carboxilico" RELATED [IUPAC] synonym: "acidos carboxilicos" RELATED [IUPAC] synonym: "Carbonsaeure" RELATED [ChEBI] synonym: "Carbonsaeuren" RELATED [ChEBI] -synonym: "carboxylic acid" EXACT IUPAC_NAME [IUPAC] -synonym: "carboxylic acids" EXACT IUPAC_NAME [IUPAC] synonym: "Karbonsaeure" RELATED [ChEBI] synonym: "RC(=O)OH" RELATED [IUPAC] -xref: PMID:17147560 {source="Europe PMC"} -xref: PMID:18433345 {source="Europe PMC"} xref: Wikipedia:Carboxylic_acid is_a: CHEBI:35605 ! carbon oxoacid is_a: CHEBI:36586 ! carbonyl compound is_a: CHEBI:64709 ! organic acid relationship: BFO:0000051 CHEBI:46883 ! has part carboxy group relationship: is_conjugate_acid_of CHEBI:29067 ! carboxylic acid anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:33576 @@ -9472,8 +6780,6 @@ name: homocyclic compound namespace: chebi_ontology def: "A cyclic compound having as ring members atoms of the same element only." [] subset: 3_STAR -synonym: "homocyclic compound" EXACT IUPAC_NAME [IUPAC] -synonym: "homocyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "isocyclic compounds" RELATED [IUPAC] is_a: CHEBI:33595 ! cyclic compound @@ -9484,8 +6790,6 @@ namespace: chebi_ontology def: "A homocyclic compound in which all of the ring members are carbon atoms." [] subset: 3_STAR synonym: "carbocycle" RELATED [ChEBI] -synonym: "carbocyclic compound" EXACT IUPAC_NAME [IUPAC] -synonym: "carbocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33597 ! homocyclic compound is_a: CHEBI:33832 ! organic cyclic compound @@ -9533,7 +6837,6 @@ namespace: chebi_ontology def: "A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms." [] subset: 3_STAR synonym: "ortho-fused compounds" RELATED [ChEBI] -synonym: "ortho-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] @@ -9543,7 +6846,6 @@ namespace: chebi_ontology def: "A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms." [] subset: 3_STAR synonym: "ortho- and peri-fused compounds" RELATED [ChEBI] -synonym: "ortho- and peri-fused polycyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35293 ! fused compound [Term] @@ -9552,7 +6854,6 @@ name: aliphatic compound namespace: chebi_ontology def: "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds." [] subset: 3_STAR -synonym: "aliphatic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50860 ! organic molecular entity [Term] @@ -9561,8 +6862,6 @@ name: aromatic compound namespace: chebi_ontology def: "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character." [] subset: 3_STAR -synonym: "aromatic compounds" EXACT IUPAC_NAME [IUPAC] -synonym: "aromatic molecular entity" EXACT IUPAC_NAME [IUPAC] synonym: "aromatics" RELATED [ChEBI] synonym: "aromatische Verbindungen" RELATED [ChEBI] is_a: CHEBI:33595 ! cyclic compound @@ -9573,8 +6872,6 @@ name: arene namespace: chebi_ontology def: "Any monocyclic or polycyclic aromatic hydrocarbon." [] subset: 3_STAR -synonym: "arene" EXACT IUPAC_NAME [IUPAC] -synonym: "arenes" EXACT IUPAC_NAME [IUPAC] synonym: "aromatic hydrocarbons" RELATED [IUPAC] is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33663 ! cyclic hydrocarbon @@ -9602,8 +6899,6 @@ name: annulene namespace: chebi_ontology def: "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms." [] subset: 3_STAR -synonym: "annulene" EXACT IUPAC_NAME [IUPAC] -synonym: "annulenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33664 ! monocyclic hydrocarbon [Term] @@ -9622,7 +6917,6 @@ name: monocyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR synonym: "monocyclic hydrocarbon" EXACT [ChEBI] -synonym: "monocyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] synonym: "monocyclic hydrocarbons" RELATED [ChEBI] is_a: CHEBI:33663 ! cyclic hydrocarbon @@ -9631,8 +6925,6 @@ id: CHEBI:33666 name: polycyclic hydrocarbon namespace: chebi_ontology subset: 3_STAR -synonym: "polycyclic hydrocarbon" EXACT IUPAC_NAME [IUPAC] -synonym: "polycyclic hydrocarbons" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33663 ! cyclic hydrocarbon is_a: CHEBI:35294 ! carbopolycyclic compound @@ -9641,8 +6933,6 @@ id: CHEBI:33670 name: heteromonocyclic compound namespace: chebi_ontology subset: 3_STAR -synonym: "heteromonocyclic compound" EXACT IUPAC_NAME [IUPAC] -synonym: "heteromonocyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33661 ! monocyclic compound is_a: CHEBI:5686 ! heterocyclic compound @@ -9652,7 +6942,6 @@ name: heteropolycyclic compound namespace: chebi_ontology def: "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom." [] subset: 3_STAR -synonym: "heteropolycyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "polyheterocyclic compounds" RELATED [ChEBI] is_a: CHEBI:33635 ! polycyclic compound is_a: CHEBI:5686 ! heterocyclic compound @@ -9663,7 +6952,6 @@ name: heterobicyclic compound namespace: chebi_ontology def: "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom." [] subset: 3_STAR -synonym: "heterobicyclic compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33636 ! bicyclic compound is_a: CHEBI:5686 ! heterocyclic compound @@ -9719,7 +7007,6 @@ namespace: chebi_ontology def: "A macromolecule formed by a living organism." [] subset: 3_STAR synonym: "biomacromolecules" RELATED [ChEBI] -synonym: "biopolymer" EXACT IUPAC_NAME [IUPAC] synonym: "Biopolymere" RELATED [ChEBI] synonym: "biopolymers" RELATED [ChEBI] is_a: CHEBI:33839 ! macromolecule @@ -9749,7 +7036,6 @@ synonym: "acides nucleiques" RELATED [ChEBI] synonym: "acido nucleico" RELATED [ChEBI] synonym: "acidos nucleicos" RELATED [ChEBI] synonym: "NA" RELATED [ChEBI] -synonym: "nucleic acids" EXACT IUPAC_NAME [IUPAC] synonym: "Nukleinsaeure" RELATED [ChEBI] synonym: "Nukleinsaeuren" RELATED [ChEBI] is_a: CHEBI:15986 ! polynucleotide @@ -9786,7 +7072,6 @@ alt_id: CHEBI:22442 alt_id: CHEBI:2642 def: "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group." [] subset: 3_STAR -synonym: "alpha-amino acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-amino acids" RELATED [JCBN] synonym: "alpha-amino acids" RELATED [ChEBI] synonym: "alpha-amino carboxylic acids" RELATED [IUPAC] @@ -9797,11 +7082,6 @@ xref: KEGG:C05167 is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:33558 ! alpha-amino-acid anion relationship: is_tautomer_of CHEBI:78608 ! alpha-amino acid zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.05870" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC([*])C(O)=O" xsd:string [Term] id: CHEBI:33708 @@ -9810,7 +7090,6 @@ namespace: chebi_ontology def: "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue." [] subset: 3_STAR synonym: "amino acid residue" RELATED [ChEBI] -synonym: "amino-acid residue" EXACT IUPAC_NAME [IUPAC] synonym: "amino-acid residues" RELATED [JCBN] is_a: CHEBI:33247 ! organic group relationship: is_substituent_group_from CHEBI:33709 ! amino acid @@ -9904,7 +7183,6 @@ namespace: chebi_ontology alt_id: CHEBI:64710 def: "An organic compound having at least one hydroxy group attached to a carbon atom." [] subset: 3_STAR -synonym: "hydroxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organic alcohol" RELATED [ChEBI] synonym: "organic hydroxy compounds" RELATED [ChEBI] is_a: CHEBI:24651 ! hydroxides @@ -9927,7 +7205,6 @@ namespace: chebi_ontology def: "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2)." [] subset: 3_STAR synonym: "hetarenes" RELATED [IUPAC] -synonym: "heteroarenes" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:33659 ! organic aromatic compound @@ -9952,18 +7229,12 @@ def: "An N-glycosyl compound that has both a nucleobase, normally adenine, guani subset: 3_STAR synonym: "a nucleoside" RELATED [UniProt] synonym: "Nucleoside" EXACT [KEGG_COMPOUND] -synonym: "nucleosides" EXACT IUPAC_NAME [IUPAC] synonym: "nucleosides" RELATED [ChEBI] xref: KEGG:C00801 xref: Wikipedia:Nucleoside is_a: CHEBI:21731 ! N-glycosyl compound is_a: CHEBI:26912 ! oxolanes is_a: CHEBI:61120 ! nucleobase-containing molecular entity -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H8O3R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "116.115" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.04734" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO" xsd:string [Term] id: CHEBI:33839 @@ -9971,7 +7242,6 @@ name: macromolecule namespace: chebi_ontology def: "A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." [] subset: 3_STAR -synonym: "macromolecule" EXACT IUPAC_NAME [IUPAC] synonym: "macromolecules" RELATED [ChEBI] synonym: "polymer" RELATED [ChEBI] synonym: "polymer molecule" RELATED [IUPAC] @@ -10007,8 +7277,6 @@ synonym: "PAH" RELATED [ChEBI] synonym: "PAHs" RELATED [ChEBI] synonym: "polycyclic arenes" RELATED [ChEBI] synonym: "polycyclic aromatic hydrocarbons" RELATED [ChEBI] -xref: PMID:15198916 {source="Europe PMC"} -xref: PMID:25679824 {source="Europe PMC"} xref: Wikipedia:Polycyclic_aromatic_hydrocarbon is_a: BFO:0000004 ! independent continuant is_a: CHEBI:33658 ! arene @@ -10029,17 +7297,11 @@ subset: 3_STAR synonym: "a phenol" RELATED [UniProt] synonym: "arenols" RELATED [IUPAC] synonym: "Aryl alcohol" RELATED [KEGG_COMPOUND] -synonym: "phenols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C15584 xref: MetaCyc:Phenols xref: Wikipedia:Phenols is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33822 ! organic hydroxy compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HOR5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "89.072" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.00274" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)*)*)O" xsd:string [Term] id: CHEBI:33856 @@ -10058,10 +7320,6 @@ is_a: CHEBI:33659 ! organic aromatic compound is_a: CHEBI:33709 ! amino acid relationship: is_conjugate_acid_of CHEBI:63473 ! aromatic amino-acid anion relationship: is_tautomer_of CHEBI:76042 ! aromatic amino-acid zwitterion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "88.085" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string [Term] id: CHEBI:33859 @@ -10126,7 +7384,6 @@ def: "A substance used in a chemical reaction to detect, measure, examine, or pr subset: 3_STAR synonym: "reactif" RELATED [IUPAC] synonym: "reactivo" RELATED [IUPAC] -synonym: "reagent" EXACT IUPAC_NAME [IUPAC] synonym: "reagents" RELATED [ChEBI] is_a: CHEBI:33232 ! application @@ -10165,43 +7422,15 @@ synonym: "Et2SO4" RELATED [ChEBI] synonym: "ethyl sulfate" RELATED [ChEBI] synonym: "sulfuric acid diethyl ester" RELATED [ChemIDplus] synonym: "sulphuric acid diethyl ester" RELATED [NIST_Chemistry_WebBook] -xref: CAS:64-67-5 {source="ChemIDplus"} -xref: CAS:64-67-5 {source="NIST Chemistry WebBook"} -xref: CBA:310330 {source="Europe PMC"} -xref: CBA:374048 {source="Europe PMC"} -xref: CBA:593867 {source="Europe PMC"} xref: Chemspider:5931 xref: HMDB:HMDB0251240 xref: KEGG:C14706 -xref: PMID:15323041 {source="Europe PMC"} -xref: PMID:17619463 {source="Europe PMC"} -xref: PMID:20566339 {source="Europe PMC"} -xref: PMID:21089860 {source="Europe PMC"} -xref: PMID:21852824 {source="Europe PMC"} -xref: PMID:23830811 {source="Europe PMC"} -xref: PMID:24681631 {source="Europe PMC"} -xref: PMID:24686557 {source="Europe PMC"} -xref: PMID:25484124 {source="Europe PMC"} -xref: PMID:26591512 {source="Europe PMC"} -xref: PMID:2797029 {source="Europe PMC"} -xref: PMID:2927429 {source="Europe PMC"} -xref: PMID:29397772 {source="Europe PMC"} -xref: PMID:29615826 {source="Europe PMC"} -xref: PMID:30417660 {source="Europe PMC"} -xref: PMID:3312952 {source="Europe PMC"} xref: Wikipedia:Diethyl_sulfate is_a: BFO:0000004 ! independent continuant is_a: CHEBI:29281 ! alkyl sulfate relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:68495 ! has role apoptosis inducer -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DENRZWYUOJLTMF-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "154.180" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.02998" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOS(=O)(=O)OCC" xsd:string [Term] id: CHEBI:34873 @@ -10216,29 +7445,14 @@ synonym: "Diethylnitrosamine" RELATED [KEGG_COMPOUND] synonym: "diethylnitrosoamine" RELATED [ChemIDplus] synonym: "N,N-diethylnitrosamine" RELATED [ChemIDplus] synonym: "N,N-diethylnitrosoamine" RELATED [ChemIDplus] -synonym: "N-ethyl-N-nitrosoethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-Nitrosodiethylamine" EXACT [KEGG_COMPOUND] synonym: "NDEA" RELATED [KEGG_COMPOUND] -xref: Beilstein:1744991 {source="Beilstein"} -xref: CAS:55-18-5 {source="NIST Chemistry WebBook"} -xref: CAS:55-18-5 {source="ChemIDplus"} -xref: CAS:55-18-5 {source="KEGG COMPOUND"} xref: KEGG:C14422 -xref: PMID:24696076 {source="Europe PMC"} -xref: PMID:24755254 {source="Europe PMC"} -xref: Reaxys:1744991 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35803 ! nitrosamine relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:50908 ! has role hepatotoxic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10N2O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBNQDOYYEUMPFS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "102.135" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "102.07931" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)N=O" xsd:string [Term] id: CHEBI:35106 @@ -10276,7 +7490,6 @@ name: antimetabolite namespace: chebi_ontology def: "A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization." [] subset: 3_STAR -synonym: "antimetabolite" EXACT IUPAC_NAME [IUPAC] synonym: "antimetabolites" RELATED [ChEBI] xref: Wikipedia:Antimetabolite is_a: CHEBI:52206 ! biochemical role @@ -10289,7 +7502,6 @@ def: "A substance that diminishes the rate of a chemical reaction." [] subset: 3_STAR synonym: "inhibidor" RELATED [ChEBI] synonym: "inhibiteur" RELATED [ChEBI] -synonym: "inhibitor" EXACT IUPAC_NAME [IUPAC] synonym: "inhibitors" RELATED [ChEBI] is_a: CHEBI:24432 ! biological role @@ -10301,7 +7513,6 @@ def: "A substance that increases the rate of a reaction without modifying the ov subset: 3_STAR synonym: "catalizador" RELATED [ChEBI] synonym: "catalyseur" RELATED [ChEBI] -synonym: "catalyst" EXACT IUPAC_NAME [IUPAC] synonym: "Katalysator" RELATED [ChEBI] is_a: CHEBI:51086 ! chemical role @@ -10312,20 +7523,11 @@ namespace: chebi_ontology subset: 3_STAR synonym: "(+)H3N-CH(CH2SH)-COO(-)" RELATED [ChEBI] synonym: "2-ammonio-3-mercaptopropanoate" RELATED [ChEBI] -synonym: "2-ammonio-3-sulfanylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine zwitterion" EXACT [IUPAC] -xref: Gmelin:49992 {source="Gmelin"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_conjugate_acid_of CHEBI:32456 ! cysteinate(1-) relationship: is_conjugate_base_of CHEBI:32458 ! cysteinium relationship: is_tautomer_of CHEBI:15356 ! cysteine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C(CS)C([O-])=O" xsd:string [Term] id: CHEBI:35238 @@ -10410,19 +7612,9 @@ subset: 3_STAR synonym: "1,2:5,6-Dibenzanthracene" RELATED [KEGG_COMPOUND] synonym: "DBA" RELATED [ChemIDplus] synonym: "Dibenz[a,h]anthracene" EXACT [KEGG_COMPOUND] -xref: CAS:53-70-3 {source="KEGG COMPOUND"} -xref: CAS:53-70-3 {source="NIST Chemistry WebBook"} -xref: CAS:53-70-3 {source="ChemIDplus"} xref: KEGG:C14325 is_a: CHEBI:35296 ! ortho-fused polycyclic arene relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H14" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LHRCREOYAASXPZ-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "278.34656" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.10955" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2c(c1)ccc1cc3c(ccc4ccccc34)cc21" xsd:string [Term] id: CHEBI:35300 @@ -10455,7 +7647,6 @@ name: organonitrogen compound namespace: chebi_ontology def: "Any heteroorganic entity containing at least one carbon-nitrogen bond." [] subset: 3_STAR -synonym: "organonitrogen compounds" EXACT IUPAC_NAME [IUPAC] synonym: "organonitrogens" RELATED [ChEBI] is_a: CHEBI:33285 ! heteroorganic entity is_a: CHEBI:51143 ! nitrogen molecular entity @@ -10467,7 +7658,6 @@ namespace: chebi_ontology def: "Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom." [] subset: 3_STAR synonym: "Amidines" RELATED [KEGG_COMPOUND] -synonym: "carboxamidines" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamidines" RELATED [ChEBI] xref: KEGG:C06060 is_a: CHEBI:2634 ! amidine @@ -10487,23 +7677,14 @@ synonym: "acides gras" RELATED [ChemIDplus] synonym: "acido graso" RELATED [ChEBI] synonym: "acidos grasos" RELATED [ChEBI] synonym: "Fatty acid" EXACT [KEGG_COMPOUND] -synonym: "fatty acids" EXACT IUPAC_NAME [IUPAC] synonym: "fatty acids" RELATED [ChEBI] synonym: "Fettsaeure" RELATED [ChEBI] synonym: "Fettsaeuren" RELATED [ChEBI] xref: KEGG:C00162 -xref: PMID:14287444 {source="Europe PMC"} -xref: PMID:14300208 {source="Europe PMC"} -xref: PMID:14328676 {source="Europe PMC"} xref: Wikipedia:Fatty_acid is_a: CHEBI:18059 ! lipid is_a: CHEBI:25384 ! monocarboxylic acid relationship: is_conjugate_acid_of CHEBI:28868 ! fatty acid anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:35406 @@ -10578,7 +7759,6 @@ name: anthelminthic drug namespace: chebi_ontology def: "Substance intended to kill parasitic worms (helminths)." [] subset: 3_STAR -synonym: "anthelminthic" EXACT IUPAC_NAME [IUPAC] synonym: "anthelminthics" RELATED [ChEBI] synonym: "anthelmintic" RELATED [IUPAC] synonym: "anthelmintics" RELATED [ChEBI] @@ -10674,7 +7854,6 @@ namespace: chebi_ontology subset: 3_STAR synonym: "heterocyclic fundamental parent" RELATED [ChEBI] synonym: "heterocyclic organic fundamental parents" RELATED [ChEBI] -synonym: "heterocyclic parent hydrides" EXACT IUPAC_NAME [IUPAC] synonym: "organic heterocyclic fundamental parents" RELATED [ChEBI] is_a: CHEBI:33245 ! organic fundamental parent @@ -10685,7 +7864,6 @@ namespace: chebi_ontology def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] subset: 3_STAR synonym: "mancude rings" RELATED [ChEBI] -synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] synonym: "mancunide-ring systems" RELATED [IUPAC] is_a: CHEBI:23367 ! molecular entity @@ -10725,20 +7903,13 @@ name: purine namespace: chebi_ontology def: "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines." [] subset: 3_STAR -synonym: "purine" EXACT IUPAC_NAME [IUPAC] xref: HMDB:HMDB0001366 xref: KEGG:C15587 xref: MetaCyc:PURINE -xref: PMID:12865945 {source="Europe PMC"} -xref: PMID:24088627 {source="Europe PMC"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:26401 ! purines is_a: CHEBI:35570 ! mancude organic heterobicyclic parent relationship: RO:0000087 CHEBI:78675 ! has role fundamental metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.112" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string [Term] id: CHEBI:35586 @@ -10747,18 +7918,10 @@ namespace: chebi_ontology def: "The 1H-tautomer of purine." [] subset: 3_STAR synonym: "1H-purine" EXACT [ChEBI] -xref: Gmelin:2379911 {source="Gmelin"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11210" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc2c[nH]cnc2n1" xsd:string [Term] id: CHEBI:35588 @@ -10766,22 +7929,10 @@ name: 3H-purine namespace: chebi_ontology def: "The 3H-tautomer of purine." [] subset: 3_STAR -synonym: "3H-purine" EXACT IUPAC_NAME [IUPAC] -xref: PMID:6149478 {source="Europe PMC"} -xref: PMID:7178185 {source="Europe PMC"} -xref: PMID:7296170 {source="Europe PMC"} -xref: Reaxys:1210196 {source="Reaxys"} is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35589 ! 9H-purine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1nc2cnc[nH]c2n1" xsd:string [Term] id: CHEBI:35589 @@ -10789,23 +7940,12 @@ name: 9H-purine namespace: chebi_ontology def: "The 9H-tautomer of purine." [] subset: 3_STAR -synonym: "9H-purine" EXACT IUPAC_NAME [IUPAC] synonym: "9H-purine" EXACT [UniProt] -xref: Beilstein:606899 {source="Beilstein"} -xref: CAS:120-73-0 {source="NIST Chemistry WebBook"} -xref: Gmelin:3120 {source="Gmelin"} xref: Wikipedia:Purine is_a: CHEBI:35584 ! purine relationship: is_tautomer_of CHEBI:17258 ! 7H-purine relationship: is_tautomer_of CHEBI:35586 ! 1H-purine relationship: is_tautomer_of CHEBI:35588 ! 3H-purine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H4N4" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDCGOANMDULRCW-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "120.11222" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.04360" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ncc2nc[nH]c2n1" xsd:string [Term] id: CHEBI:35604 @@ -10860,16 +8000,10 @@ namespace: chebi_ontology def: "A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class." [] subset: 3_STAR synonym: "hydroxynaphthalene" RELATED [ChEBI] -synonym: "naphthalenol" EXACT IUPAC_NAME [IUPAC] synonym: "naphthol" EXACT [IUPAC] -xref: CAS:1321-67-1 {source="ChemIDplus"} is_a: CHEBI:139520 ! phenolic donor is_a: CHEBI:25392 ! naphthols relationship: has_parent_hydride CHEBI:16482 ! naphthalene -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "144.170" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.05751" xsd:string [Term] id: CHEBI:35684 @@ -10930,7 +8064,6 @@ alt_id: CHEBI:31565 def: "An ether in which the oxygen atom is linked to two ethyl groups." [] subset: 3_STAR synonym: "1,1'-oxybisethane" RELATED [ChemIDplus] -synonym: "1,1'-oxydiethane" EXACT IUPAC_NAME [IUPAC] synonym: "3-oxapentane" RELATED [ChemIDplus] synonym: "Aether" RELATED [ChEBI] synonym: "aether" RELATED [NIST_Chemistry_WebBook] @@ -10945,16 +8078,8 @@ synonym: "ethyl ether" RELATED [ChemIDplus] synonym: "ethyl oxide" RELATED [ChemIDplus] synonym: "Pronarcol" RELATED [NIST_Chemistry_WebBook] synonym: "R-610" RELATED [ChEBI] -xref: Beilstein:1696894 {source="Beilstein"} -xref: CAS:60-29-7 {source="NIST Chemistry WebBook"} -xref: CAS:60-29-7 {source="ChemIDplus"} -xref: CAS:60-29-7 {source="KEGG COMPOUND"} -xref: Drug_Central:4417 {source="DrugCentral"} -xref: Gmelin:25444 {source="Gmelin"} xref: KEGG:C13240 xref: KEGG:D01772 -xref: PMID:24443836 {source="Europe PMC"} -xref: Reaxys:1696894 {source="Reaxys"} xref: Wikipedia:Diethyl_ether is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134179 ! volatile organic compound @@ -10962,13 +8087,6 @@ is_a: CHEBI:25698 ! ether relationship: RO:0000087 CHEBI:38870 ! has role inhalation anaesthetic relationship: RO:0000087 CHEBI:48355 ! has role non-polar solvent relationship: RO:0000087 CHEBI:78433 ! has role refrigerant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTZKZFJDLAIYFH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.12160" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.07316" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCOCC" xsd:string [Term] id: CHEBI:35703 @@ -10979,9 +8097,7 @@ alt_id: CHEBI:27333 def: "A xenobiotic (Greek, xenos \"foreign\"; bios \"life\") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means." [] subset: 3_STAR synonym: "Xenobiotic" EXACT [KEGG_COMPOUND] -synonym: "xenobiotic" EXACT IUPAC_NAME [IUPAC] synonym: "xenobiotic compounds" RELATED [ChEBI] -synonym: "xenobiotics" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C06708 xref: Wikipedia:Xenobiotic is_a: CHEBI:24432 ! biological role @@ -11003,7 +8119,6 @@ name: nitro compound namespace: chebi_ontology def: "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied)." [] subset: 3_STAR -synonym: "nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:51143 ! nitrogen molecular entity relationship: BFO:0000051 CHEBI:29785 ! has part nitro group @@ -11024,11 +8139,6 @@ synonym: "monocarboxylic acid anions" RELATED [ChEBI] xref: KEGG:C00060 is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:25384 ! monocarboxylic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:35780 @@ -11060,15 +8170,9 @@ name: nitroso group namespace: chebi_ontology subset: 3_STAR synonym: "-N=O" RELATED [IUPAC] -synonym: "nitroso" EXACT IUPAC_NAME [IUPAC] synonym: "O=N-" RELATED [IUPAC] is_a: CHEBI:33246 ! inorganic group is_a: CHEBI:51144 ! nitrogen group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "NO" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "30.00614" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.99799" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=N*" xsd:string [Term] id: CHEBI:35803 @@ -11080,11 +8184,6 @@ synonym: "N-Nitroso amines" RELATED [IUPAC] synonym: "nitrosamines" RELATED [ChEBI] xref: Wikipedia:Nitrosamine is_a: CHEBI:35800 ! nitroso compound -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "N2OR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.01280" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.00106" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N([*])N=O" xsd:string [Term] id: CHEBI:35807 @@ -11098,40 +8197,18 @@ synonym: "Dimethylnitrosamine" RELATED [KEGG_COMPOUND] synonym: "Dimethylnitrosoamine" RELATED [ChemIDplus] synonym: "DMN" RELATED [ChemIDplus] synonym: "N,N-Dimethylnitrosamine" RELATED [ChemIDplus] -synonym: "N-methyl-N-nitrosomethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "N-Nitrosodimethylamine" EXACT [ChemIDplus] synonym: "N-Nitrosodimethylamine" EXACT [KEGG_COMPOUND] -xref: CAS:62-75-9 {source="KEGG COMPOUND"} -xref: CAS:62-75-9 {source="ChemIDplus"} -xref: CAS:62-75-9 {source="NIST Chemistry WebBook"} xref: FooDB:FDB003496 xref: HMDB:HMDB0031419 xref: KEGG:C14704 xref: MetaCyc:CPD-18996 -xref: PMID:10688537 {source="Europe PMC"} -xref: PMID:15647563 {source="Europe PMC"} -xref: PMID:15672376 {source="Europe PMC"} -xref: PMID:16640298 {source="Europe PMC"} -xref: PMID:25556763 {source="Europe PMC"} -xref: PMID:32836149 {source="Europe PMC"} -xref: PMID:33849366 {source="Europe PMC"} -xref: PMID:34247699 {source="Europe PMC"} -xref: PMID:34546846 {source="Europe PMC"} -xref: PMID:8318659 {source="Europe PMC"} -xref: PMID:8951235 {source="Europe PMC"} xref: PPDB:1645 xref: Wikipedia:N-Nitrosodimethylamine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35803 ! nitrosamine relationship: RO:0000087 CHEBI:176497 ! has role geroprotector relationship: RO:0000087 CHEBI:25435 ! has role mutagen -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N2O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UMFJAHHVKNCGLG-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.08192" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.04801" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(C)N=O" xsd:string [Term] id: CHEBI:35820 @@ -11227,7 +8304,6 @@ def: "Compounds having a fully conjugated cyclic dione structure, such as that o subset: 3_STAR synonym: "Chinon" RELATED [ChEBI] synonym: "quinone" EXACT [IUPAC] -synonym: "quinones" EXACT IUPAC_NAME [IUPAC] synonym: "quinones" RELATED [ChEBI] xref: Wikipedia:Quinone is_a: CHEBI:3992 ! cyclic ketone @@ -11244,7 +8320,6 @@ synonym: "disacarido" RELATED [ChEBI] synonym: "disacaridos" RELATED [IUPAC] synonym: "Disaccharid" RELATED [ChEBI] synonym: "Disaccharide" EXACT [KEGG_COMPOUND] -synonym: "disaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Disacharid" RELATED [ChEBI] xref: KEGG:C01911 is_a: CHEBI:50699 ! oligosaccharide @@ -11284,7 +8359,6 @@ name: fermion namespace: chebi_ontology def: "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." [] subset: 3_STAR -synonym: "fermion" EXACT IUPAC_NAME [IUPAC] synonym: "fermions" RELATED [ChEBI] is_a: CHEBI:36342 ! subatomic particle @@ -11321,7 +8395,6 @@ name: nuclear particle namespace: chebi_ontology def: "A nucleus or any of its constituents in any of their energy states." [] subset: 3_STAR -synonym: "nuclear particle" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36342 ! subatomic particle [Term] @@ -11392,31 +8465,16 @@ synonym: "10-azaanthracene" RELATED [ChemIDplus] synonym: "2,3,5,6-dibenzopyridine" RELATED [ChemIDplus] synonym: "2,3-benzoquinoline" RELATED [ChemIDplus] synonym: "9-azaanthracene" RELATED [ChemIDplus] -synonym: "acridine" EXACT IUPAC_NAME [IUPAC] synonym: "acrydine" RELATED [NIST_Chemistry_WebBook] synonym: "Akridin" RELATED [NIST_Chemistry_WebBook] synonym: "benzo[b]quinoline" RELATED [NIST_Chemistry_WebBook] synonym: "dibenzo[b,e]pyridine" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:120200 {source="Beilstein"} -xref: CAS:260-94-6 {source="NIST Chemistry WebBook"} -xref: CAS:260-94-6 {source="ChemIDplus"} -xref: Gmelin:143403 {source="Gmelin"} -xref: PMID:11924543 {source="Europe PMC"} -xref: PMID:24416442 {source="Europe PMC"} -xref: Reaxys:120200 {source="Reaxys"} xref: Wikipedia:Acridine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:22213 ! acridines is_a: CHEBI:36416 ! mancude organic heterotricyclic parent is_a: CHEBI:38180 ! polycyclic heteroarene relationship: RO:0000087 CHEBI:50902 ! has role genotoxin -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C13H9N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DZBUGLKDJFMEHC-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "179.21730" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.07350" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2nc3ccccc3cc2c1" xsd:string [Term] id: CHEBI:36586 @@ -11424,7 +8482,6 @@ name: carbonyl compound namespace: chebi_ontology def: "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives." [] subset: 3_STAR -synonym: "carbonyl compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:36587 ! organic oxo compound is_a: CHEBI:36963 ! organooxygen compound relationship: BFO:0000051 CHEBI:23019 ! has part carbonyl group @@ -11436,7 +8493,6 @@ namespace: chebi_ontology def: "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element." [] subset: 3_STAR synonym: "organic oxo compounds" RELATED [ChEBI] -synonym: "oxo compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:72695 ! organic molecule relationship: BFO:0000051 CHEBI:46629 ! has part oxo group @@ -11459,11 +8515,6 @@ xref: MetaCyc:Chlorides xref: Wikipedia:Organochloride is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:23117 ! chlorine molecular entity -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "ClR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "35.453" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*Cl" xsd:string [Term] id: CHEBI:36688 @@ -11471,7 +8522,6 @@ name: heterotricyclic compound namespace: chebi_ontology subset: 3_STAR synonym: "heterotricyclic compound" EXACT [ChEBI] -synonym: "heterotricyclic compounds" EXACT IUPAC_NAME [IUPAC] synonym: "heterotricyclic compounds" RELATED [ChEBI] is_a: CHEBI:33671 ! heteropolycyclic compound @@ -11492,7 +8542,6 @@ namespace: chebi_ontology subset: 3_STAR synonym: "monoanions" RELATED [ChEBI] is_a: CHEBI:22563 ! anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string [Term] id: CHEBI:36892 @@ -11508,10 +8557,6 @@ namespace: chebi_ontology subset: 3_STAR synonym: "atomic fluorine" RELATED [ChEBI] is_a: CHEBI:36892 ! elemental fluorine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string [Term] id: CHEBI:36914 @@ -11540,7 +8585,6 @@ alt_id: CHEBI:3473 def: "A monoatomic or polyatomic species having one or more elementary charges of the proton." [] subset: 3_STAR synonym: "Cation" EXACT [KEGG_COMPOUND] -synonym: "cation" EXACT IUPAC_NAME [IUPAC] synonym: "cation" EXACT [ChEBI] synonym: "cationes" RELATED [ChEBI] synonym: "cations" RELATED [ChEBI] @@ -11555,7 +8599,6 @@ name: chalcocarbonic acid namespace: chebi_ontology subset: 3_STAR synonym: "chalcocarbonic acid" EXACT [ChEBI] -synonym: "chalcocarbonic acids" EXACT IUPAC_NAME [IUPAC] synonym: "chalcocarbonic acids" RELATED [ChEBI] is_a: CHEBI:36962 ! organochalcogen compound @@ -11578,7 +8621,6 @@ def: "An organochalcogen compound containing at least one carbon-oxygen bond." [ subset: 3_STAR synonym: "organooxygen compound" EXACT [ChEBI] synonym: "organooxygen compounds" RELATED [ChEBI] -xref: PMID:17586126 {source="Europe PMC"} is_a: CHEBI:25806 ! oxygen molecular entity is_a: CHEBI:36962 ! organochalcogen compound @@ -11612,11 +8654,6 @@ xref: MetaCyc:Bromide xref: Wikipedia:Organobromine_compound is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:22928 ! bromine molecular entity -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "BrR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "79.904" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*Br" xsd:string [Term] id: CHEBI:37143 @@ -11633,11 +8670,6 @@ synonym: "organofluorine compounds" RELATED [ChEBI] xref: MetaCyc:Fluorides is_a: CHEBI:17792 ! organohalogen compound is_a: CHEBI:24062 ! fluorine molecular entity -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "FR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*F" xsd:string [Term] id: CHEBI:37175 @@ -11654,7 +8686,6 @@ namespace: chebi_ontology subset: 3_STAR synonym: "mononuclear hydride" RELATED [ChEBI] synonym: "mononuclear hydrides" RELATED [IUPAC] -synonym: "mononuclear parent hydrides" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:33692 ! hydrides [Term] @@ -11694,9 +8725,7 @@ alt_id: CHEBI:37406 def: "Any ether in which the oxygen atom forms part of a ring." [] subset: 3_STAR synonym: "cyclic ether" EXACT [IUPAC] -synonym: "cyclic ethers" EXACT IUPAC_NAME [IUPAC] synonym: "cyclic ethers" RELATED [ChEBI] -synonym: "epoxy compounds" EXACT IUPAC_NAME [IUPAC] synonym: "epoxy compounds" RELATED [ChEBI] is_a: CHEBI:25698 ! ether is_a: CHEBI:38104 ! oxacycle @@ -11710,7 +8739,6 @@ alt_id: CHEBI:24076 def: "A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units." [] subset: 3_STAR synonym: "folate" RELATED [ChEBI] -synonym: "folates" EXACT IUPAC_NAME [IUPAC] synonym: "folates" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 is_a: CHEBI:26375 ! pterins @@ -11728,7 +8756,6 @@ alt_id: CHEBI:2426 def: "An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid)." [] subset: 3_STAR synonym: "Acid" EXACT [KEGG_COMPOUND] -synonym: "acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide" RELATED [IUPAC] synonym: "acido" RELATED [ChEBI] synonym: "acids" RELATED [ChEBI] @@ -11763,16 +8790,7 @@ id: CHEBI:37594 name: N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine namespace: chebi_ontology subset: 3_STAR -synonym: "N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:498343 {source="Beilstein"} is_a: CHEBI:22213 ! acridines -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H25Cl2N3O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H25Cl2N3O/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIFINQAUHKZSBV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "406.34822" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "405.13747" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12" xsd:string [Term] id: CHEBI:37595 @@ -11780,20 +8798,10 @@ name: quinacrine mustard namespace: chebi_ontology alt_id: CHEBI:47635 subset: 3_STAR -synonym: "N(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "quinacrine mustard" EXACT [ChemIDplus] -xref: Beilstein:56337 {source="Beilstein"} -xref: CAS:64046-79-3 {source="ChemIDplus"} is_a: CHEBI:37598 ! nitrogen mustard is_a: CHEBI:51803 ! aminoacridines relationship: has_functional_parent CHEBI:8711 ! quinacrine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H28Cl3N3O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKOBAUFLOGFCMV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "468.84614" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "467.12980" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1" xsd:string [Term] id: CHEBI:37598 @@ -11803,7 +8811,6 @@ def: "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in subset: 3_STAR synonym: "nitrogen mustard compound" RELATED [ChEBI] synonym: "nitrogen mustard compounds" RELATED [ChEBI] -synonym: "nitrogen mustards" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen mustards" RELATED [ChEBI] xref: Wikipedia:Nitrogen_mustard is_a: BFO:0000004 ! independent continuant @@ -11818,18 +8825,12 @@ alt_id: CHEBI:35354 alt_id: CHEBI:35355 def: "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom." [] subset: 3_STAR -synonym: "carboxamides" EXACT IUPAC_NAME [IUPAC] synonym: "carboxamides" RELATED [ChEBI] synonym: "primary carboxamide" RELATED [ChEBI] is_a: CHEBI:33256 ! primary amide is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:36963 ! organooxygen compound relationship: BFO:0000051 CHEBI:23004 ! has part carbamoyl group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CNOR3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "42.01680" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.99799" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)N([*])[*]" xsd:string [Term] id: CHEBI:37699 @@ -11849,7 +8850,6 @@ alt_id: CHEBI:25462 alt_id: CHEBI:44430 def: "A straight chain alkane composed of 4 carbon atoms." [] subset: 3_STAR -synonym: "butane" EXACT IUPAC_NAME [IUPAC] synonym: "butane" EXACT [UniProt] synonym: "E 943a" RELATED [ChEBI] synonym: "E-943a" RELATED [ChEBI] @@ -11859,26 +8859,13 @@ synonym: "N-BUTANE" RELATED [PDBeChem] synonym: "n-butane" RELATED [NIST_Chemistry_WebBook] synonym: "n-C4H10" RELATED [NIST_Chemistry_WebBook] synonym: "R-600" RELATED [ChEBI] -xref: Beilstein:969129 {source="Beilstein"} -xref: CAS:106-97-8 {source="ChemIDplus"} -xref: CAS:106-97-8 {source="NIST Chemistry WebBook"} -xref: Gmelin:1148 {source="Gmelin"} xref: PDBeChem:NBU -xref: PMID:24179026 {source="Europe PMC"} -xref: Reaxys:969129 {source="Reaxys"} xref: Wikipedia:Butane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:78017 ! has role food propellant relationship: RO:0000087 CHEBI:78433 ! has role refrigerant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IJDNQMDRQITEOD-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "58.12220" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.07825" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC" xsd:string [Term] id: CHEBI:37826 @@ -11896,8 +8883,6 @@ name: carboacyl group namespace: chebi_ontology def: "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid." [] subset: 3_STAR -synonym: "carboacyl groups" EXACT IUPAC_NAME [IUPAC] -synonym: "carboxylic acyl group" EXACT IUPAC_NAME [IUPAC] synonym: "carboxylic acyl groups" RELATED [IUPAC] is_a: CHEBI:22221 ! acyl group relationship: is_substituent_group_from CHEBI:33575 ! carboxylic acid @@ -11935,19 +8920,9 @@ synonym: "(32)15P" RELATED [IUPAC] synonym: "(32)P" RELATED [IUPAC] synonym: "Phosphorus, isotope of mass 32" RELATED [KEGG_COMPOUND] synonym: "phosphorus, isotope of mass 32" RELATED [ChemIDplus] -synonym: "phosphorus-32" EXACT IUPAC_NAME [IUPAC] synonym: "phosphorus-32" RELATED [ChEBI] -xref: CAS:14596-37-3 {source="KEGG COMPOUND"} -xref: CAS:14596-37-3 {source="ChemIDplus"} xref: KEGG:C19162 is_a: CHEBI:28659 ! phosphorus atom -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "[32P]" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P/i1+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-OUBTZVSYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "31.974" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97391" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[32P]" xsd:string [Term] id: CHEBI:38032 @@ -12017,7 +8992,6 @@ subset: 3_STAR synonym: "heterocyclic organooxygen compounds" RELATED [ChEBI] synonym: "organooxygen heterocyclic compounds" RELATED [ChEBI] synonym: "oxacycles" RELATED [ChEBI] -xref: PMID:17134300 {source="Europe PMC"} is_a: CHEBI:24532 ! organic heterocyclic compound is_a: CHEBI:36963 ! organooxygen compound @@ -12157,11 +9131,6 @@ subset: 3_STAR is_a: CHEBI:26004 ! phenylpropanoid is_a: CHEBI:38443 ! 1-benzopyran is_a: CHEBI:47916 ! flavonoid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C15OR14" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "196.160" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*]" xsd:string [Term] id: CHEBI:38702 @@ -12215,7 +9184,6 @@ name: N-nitro compound namespace: chebi_ontology def: "A compound having the nitro group (-NO2) attached to a nitrogen atom." [] subset: 3_STAR -synonym: "N-nitro compounds" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35715 ! nitro compound [Term] @@ -12226,10 +9194,6 @@ alt_id: CHEBI:37074 subset: 3_STAR is_a: CHEBI:38796 ! pteroates relationship: is_conjugate_base_of CHEBI:38794 ! pteroic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H11N6O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "311.276" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.08926" xsd:string [Term] id: CHEBI:38794 @@ -12239,14 +9203,9 @@ alt_id: CHEBI:26378 subset: 3_STAR synonym: "Pteroic acid" EXACT [ChemIDplus] synonym: "Pteroinsaeure" RELATED [ChEBI] -xref: CAS:119-24-4 {source="ChemIDplus"} xref: DrugBank:DB04196 is_a: CHEBI:38795 ! pteroic acids relationship: is_conjugate_acid_of CHEBI:38793 ! pteroate -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12N6O3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "312.284" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.09709" xsd:string [Term] id: CHEBI:38795 @@ -12289,7 +9248,6 @@ name: anaesthetic namespace: chebi_ontology def: "Substance which produces loss of feeling or sensation." [] subset: 3_STAR -synonym: "anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "anaesthetics" RELATED [ChEBI] synonym: "Anaesthetika" RELATED [ChEBI] synonym: "Anaesthetikum" RELATED [ChEBI] @@ -12306,7 +9264,6 @@ def: "Substance that produces loss of consciousness." [] subset: 3_STAR synonym: "Allgemeinanaesthetika" RELATED [ChEBI] synonym: "Allgemeinanaesthetikum" RELATED [ChEBI] -synonym: "general anaesthetic" EXACT IUPAC_NAME [IUPAC] synonym: "general anaesthetics" RELATED [ChEBI] synonym: "general anesthetics" RELATED [ChEBI] is_a: CHEBI:38867 ! anaesthetic @@ -12375,7 +9332,6 @@ namespace: chebi_ontology def: "A molecular entity capable of donating a hydron to an acceptor (Bronsted base)." [] subset: 3_STAR synonym: "acide de Bronsted" RELATED [IUPAC] -synonym: "Bronsted acid" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Saeure" RELATED [ChEBI] synonym: "donneur d'hydron" RELATED [IUPAC] synonym: "hydron donor" RELATED [IUPAC] @@ -12390,7 +9346,6 @@ def: "A molecular entity capable of accepting a hydron from a donor (Bronsted ac subset: 3_STAR synonym: "accepteur d'hydron" RELATED [IUPAC] synonym: "base de Bronsted" RELATED [IUPAC] -synonym: "Bronsted base" EXACT IUPAC_NAME [IUPAC] synonym: "Bronsted-Base" RELATED [ChEBI] synonym: "hydron acceptor" RELATED [IUPAC] is_a: CHEBI:15339 ! acceptor @@ -12405,7 +9360,6 @@ subset: 3_STAR synonym: "base de Lewis" RELATED [IUPAC] synonym: "donneur d'une paire d'electrons" RELATED [ChEBI] synonym: "electron donor" RELATED [ChEBI] -synonym: "Lewis base" EXACT IUPAC_NAME [IUPAC] synonym: "Lewis-Base" RELATED [ChEBI] is_a: CHEBI:17891 ! donor is_a: CHEBI:22695 ! base @@ -12416,20 +9370,13 @@ name: nitroguanidine namespace: chebi_ontology def: "An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates." [] subset: 3_STAR -synonym: "nitroguanidine" EXACT IUPAC_NAME [IUPAC] synonym: "picrite" RELATED [NIST_Chemistry_WebBook] -xref: CAS:556-88-7 {source="ChemIDplus"} -xref: CAS:556-88-7 {source="NIST Chemistry WebBook"} xref: Wikipedia:Nitroguanidine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:38780 ! N-nitro compound relationship: has_functional_parent CHEBI:42820 ! guanidine relationship: has_functional_parent CHEBI:616459 ! carbamimidoylazanium relationship: RO:0000087 CHEBI:63490 ! has role explosive -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N4O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "104.068" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.03343" xsd:string [Term] id: CHEBI:39201 @@ -12468,7 +9415,6 @@ def: "Any saturated fatty acid lacking a side-chain." [] subset: 3_STAR synonym: "straight-chain saturated fatty acid" EXACT [ChEBI] synonym: "straight-chain saturated fatty acids" RELATED [ChEBI] -xref: PMID:15644336 {source="Europe PMC"} is_a: CHEBI:26607 ! saturated fatty acid is_a: CHEBI:59202 ! straight-chain fatty acid relationship: is_conjugate_acid_of CHEBI:58954 ! straight-chain saturated fatty acid anion @@ -12503,26 +9449,13 @@ alt_id: CHEBI:39739 def: "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated." [] subset: 3_STAR synonym: "[PO2(OH)2](-)" RELATED [IUPAC] -synonym: "dihydrogen(tetraoxidophosphate)(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "DIHYDROGENPHOSPHATE ION" RELATED [PDBeChem] -synonym: "dihydrogentetraoxophosphate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydroxidodioxidophosphate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "H2PO4(-)" RELATED [IUPAC] xref: DrugBank:DB02831 -xref: Gmelin:1999 {source="Gmelin"} xref: PDBeChem:2HP is_a: CHEBI:35780 ! phosphate ion is_a: CHEBI:79389 ! monovalent inorganic anion relationship: is_conjugate_acid_of CHEBI:43474 ! hydrogenphosphate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O4P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.98724" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96962" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP([O-])(=O)O[H]" xsd:string [Term] id: CHEBI:3992 @@ -12530,7 +9463,6 @@ name: cyclic ketone namespace: chebi_ontology subset: 3_STAR synonym: "Cyclic ketone" EXACT [KEGG_COMPOUND] -synonym: "cyclic ketones" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C02019 is_a: CHEBI:17087 ! ketone @@ -12545,25 +9477,12 @@ synonym: "1,4-BUTANEDIOL" RELATED [PDBeChem] synonym: "1,4-butylene glycol" RELATED [ChemIDplus] synonym: "1,4-dihydroxybutane" RELATED [ChemIDplus] synonym: "1,4-tetramethylene glycol" RELATED [ChemIDplus] -synonym: "butane-1,4-diol" EXACT IUPAC_NAME [IUPAC] synonym: "HO(CH2)4OH" RELATED [ChEBI] synonym: "HOCH2CH2CH2CH2OH" RELATED [ChEBI] synonym: "tetramethylene 1,4-diol" RELATED [ChemIDplus] synonym: "tetramethylene glycol" RELATED [ChemIDplus] -xref: CAS:110-63-4 {source="ChemIDplus"} -xref: CAS:110-63-4 {source="NIST Chemistry WebBook"} xref: DrugBank:DB01955 xref: PDBeChem:BU1 -xref: PMID:11803699 {source="Europe PMC"} -xref: PMID:15298490 {source="Europe PMC"} -xref: PMID:16193534 {source="Europe PMC"} -xref: PMID:17854202 {source="Europe PMC"} -xref: PMID:18203723 {source="Europe PMC"} -xref: PMID:19915428 {source="Europe PMC"} -xref: PMID:20112336 {source="Europe PMC"} -xref: PMID:21548140 {source="Europe PMC"} -xref: PMID:21602812 {source="Europe PMC"} -xref: Reaxys:1633445 {source="Reaxys"} xref: Wikipedia:1\,4-Butanediol is_a: BFO:0000004 ! independent continuant is_a: CHEBI:13643 ! glycol @@ -12571,13 +9490,6 @@ is_a: CHEBI:52684 ! butanediol relationship: RO:0000087 CHEBI:48356 ! has role protic solvent relationship: RO:0000087 CHEBI:50266 ! has role prodrug relationship: RO:0000087 CHEBI:50910 ! has role neurotoxin -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WERYXYBDKMZEQL-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "90.12100" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.06808" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCCCO" xsd:string [Term] id: CHEBI:41609 @@ -12591,20 +9503,9 @@ synonym: "carbonate" EXACT [IUPAC] synonym: "CARBONATE ION" RELATED [PDBeChem] synonym: "CO3(2-)" RELATED [ChEBI] synonym: "Karbonat" RELATED [ChEBI] -synonym: "trioxidocarbonate(2-)" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:3600898 {source="Beilstein"} -xref: CAS:3812-32-6 {source="ChemIDplus"} -xref: Gmelin:1559 {source="Gmelin"} xref: PDBeChem:CO3 is_a: CHEBI:35604 ! carbon oxoanion relationship: is_conjugate_base_of CHEBI:17544 ! hydrogencarbonate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.00890" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.98584" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([O-])=O" xsd:string [Term] id: CHEBI:42266 @@ -12621,31 +9522,15 @@ synonym: "CH3-CH3" RELATED [IUPAC] synonym: "dimethyl" RELATED [NIST_Chemistry_WebBook] synonym: "Ethan" RELATED [ChEBI] synonym: "ETHANE" EXACT [PDBeChem] -synonym: "ethane" EXACT IUPAC_NAME [IUPAC] synonym: "ethyl hydride" RELATED [NIST_Chemistry_WebBook] synonym: "methylmethane" RELATED [NIST_Chemistry_WebBook] synonym: "R-170" RELATED [ChEBI] -xref: Beilstein:1730716 {source="Beilstein"} -xref: CAS:74-84-0 {source="ChemIDplus"} -xref: CAS:74-84-0 {source="NIST Chemistry WebBook"} -xref: Gmelin:212 {source="Gmelin"} -xref: PMID:12826252 {source="Europe PMC"} -xref: PMID:14664856 {source="Europe PMC"} -xref: PMID:16236899 {source="Europe PMC"} -xref: Reaxys:1730716 {source="Reaxys"} xref: Wikipedia:Ethane is_a: BFO:0000004 ! independent continuant is_a: CHEBI:138675 ! gas molecular entity is_a: CHEBI:18310 ! alkane relationship: RO:0000087 CHEBI:76924 ! has role plant metabolite relationship: RO:0000087 CHEBI:78433 ! has role refrigerant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6/c1-2/h1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OTMSDBZUPAUEDD-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "30.06904" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.04695" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC" xsd:string [Term] id: CHEBI:42485 @@ -12656,21 +9541,13 @@ alt_id: CHEBI:42480 subset: 3_STAR synonym: "-CH(O)" RELATED [IUPAC] synonym: "-CHO" RELATED [IUPAC] -synonym: "aldehyde group" EXACT IUPAC_NAME [IUPAC] -synonym: "carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "Fo" RELATED [CBN] -synonym: "formyl" EXACT IUPAC_NAME [IUPAC] synonym: "FORMYL GROUP" EXACT [PDBeChem] synonym: "H-CO-" RELATED [IUPAC] synonym: "methanoyl" RELATED [IUPAC] xref: PDBeChem:FOR is_a: CHEBI:27207 ! univalent carboacyl group relationship: is_substituent_group_from CHEBI:30751 ! formic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "29.01804" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "29.00274" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(*)=O" xsd:string [Term] id: CHEBI:42820 @@ -12684,30 +9561,15 @@ synonym: "aminomethanamidine" RELATED [NIST_Chemistry_WebBook] synonym: "Gu" RELATED [ChEBI] synonym: "guanidin" RELATED [ChEBI] synonym: "GUANIDINE" EXACT [PDBeChem] -synonym: "guanidine" EXACT IUPAC_NAME [IUPAC] synonym: "H2N-C(=NH)-NH2" RELATED [IUPAC] synonym: "iminourea" RELATED [NIST_Chemistry_WebBook] -xref: Beilstein:506044 {source="Beilstein"} -xref: CAS:113-00-8 {source="ChemIDplus"} -xref: CAS:113-00-8 {source="NIST Chemistry WebBook"} -xref: Drug_Central:1344 {source="DrugCentral"} xref: DrugBank:DB00536 -xref: Gmelin:100679 {source="Gmelin"} xref: PDBeChem:GAI -xref: PMID:8070089 {source="Europe PMC"} -xref: Reaxys:506044 {source="Reaxys"} xref: Wikipedia:Guanidine is_a: CHEBI:24436 ! guanidines is_a: CHEBI:35359 ! carboxamidine is_a: CHEBI:64708 ! one-carbon compound relationship: is_conjugate_base_of CHEBI:30087 ! guanidinium -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH5N3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRALSGWEFCBTJO-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "59.07062" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "59.04835" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(N)=N" xsd:string [Term] id: CHEBI:43176 @@ -12717,18 +9579,12 @@ alt_id: CHEBI:24706 alt_id: CHEBI:43171 subset: 3_STAR synonym: "-OH" RELATED [IUPAC] -synonym: "hydroxy" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROXY GROUP" EXACT [PDBeChem] synonym: "hydroxy group" EXACT [UniProt] synonym: "hydroxyl" RELATED [ChEBI] synonym: "hydroxyl group" RELATED [ChEBI] xref: PDBeChem:OH is_a: CHEBI:33246 ! inorganic group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "17.00734" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.00274" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*O[H]" xsd:string [Term] id: CHEBI:43254 @@ -12750,15 +9606,9 @@ synonym: "[P(OH)O3](2-)" RELATED [MolBase] synonym: "[PO3(OH)](2-)" RELATED [IUPAC] synonym: "HPO4(2-)" RELATED [IUPAC] synonym: "hydrogen phosphate" RELATED [ChEBI] -synonym: "hydrogen(tetraoxidophosphate)(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogenphosphate" EXACT IUPAC_NAME [IUPAC] synonym: "HYDROGENPHOSPHATE ION" RELATED [PDBeChem] -synonym: "hydrogentetraoxophosphate(2-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentetraoxophosphate(V)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydroxidotrioxidophosphate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "INORGANIC PHOSPHATE GROUP" RELATED [PDBeChem] synonym: "phosphate" RELATED [UniProt] -xref: Gmelin:1998 {source="Gmelin"} xref: MolBase:1628 xref: PDBeChem:PI xref: PDBeChem:PO4 @@ -12768,13 +9618,6 @@ relationship: is_conjugate_acid_of CHEBI:18367 ! phosphate(3-) relationship: is_conjugate_base_of CHEBI:39745 ! dihydrogenphosphate relationship: RO:0000087 CHEBI:23357 ! has role cofactor relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4P" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "95.97930" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.96234" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:45696 @@ -12786,23 +9629,10 @@ subset: 3_STAR synonym: "[SO3(OH)](-)" RELATED [IUPAC] synonym: "HSO4(-)" RELATED [IUPAC] synonym: "HYDROGEN SULFATE" RELATED [PDBeChem] -synonym: "hydrogen(tetraoxidosulfate)(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogensulfate" EXACT [IUPAC] -synonym: "hydrogensulfate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentetraoxosulfate(1-)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydrogentetraoxosulfate(VI)" EXACT IUPAC_NAME [IUPAC] -synonym: "hydroxidotrioxidosulfate(1-)" EXACT IUPAC_NAME [IUPAC] -xref: Gmelin:2121 {source="Gmelin"} is_a: CHEBI:33482 ! sulfur oxoanion relationship: is_conjugate_acid_of CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:26836 ! sulfuric acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "HO4S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAOWNCQODCNURD-UHFFFAOYSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "97.07154" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.96010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OS([O-])(=O)=O" xsd:string [Term] id: CHEBI:46629 @@ -12812,15 +9642,9 @@ alt_id: CHEBI:29353 alt_id: CHEBI:44607 subset: 3_STAR synonym: "=O" RELATED [IUPAC] -synonym: "oxo" EXACT IUPAC_NAME [IUPAC] synonym: "OXO GROUP" EXACT [PDBeChem] xref: PDBeChem:O is_a: CHEBI:33246 ! inorganic group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "15.99940" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.99491" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=*" xsd:string [Term] id: CHEBI:46787 @@ -12857,33 +9681,18 @@ synonym: "1-hydroxy-2-methoxyethane" RELATED [ChemIDplus] synonym: "2-hydroxyethyl methyl ether" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-1-ethanol" RELATED [ChemIDplus] synonym: "2-METHOXYETHANOL" EXACT [PDBeChem] -synonym: "2-methoxyethanol" EXACT IUPAC_NAME [IUPAC] synonym: "3-oxa-1-butanol" RELATED [ChemIDplus] synonym: "beta-methoxyethanol" RELATED [NIST_Chemistry_WebBook] synonym: "HOCH2CH2OCH3" RELATED [NIST_Chemistry_WebBook] synonym: "Methyl cellosolve" RELATED [ChemIDplus] synonym: "methyl oxitol" RELATED [ChemIDplus] synonym: "monomethyl ethylene glycol ether" RELATED [ChemIDplus] -xref: Beilstein:1731074 {source="ChemIDplus"} -xref: CAS:109-86-4 {source="ChemIDplus"} -xref: CAS:109-86-4 {source="NIST Chemistry WebBook"} xref: DrugBank:DB02806 -xref: Gmelin:81877 {source="Gmelin"} xref: MetaCyc:2-METHOXYETHANOL xref: PDBeChem:MXE -xref: PMID:11354470 {source="Europe PMC"} -xref: PMID:24399739 {source="Europe PMC"} xref: PPDB:1639 -xref: Reaxys:1731074 {source="Reaxys"} xref: Wikipedia:2-Methoxyethanol is_a: CHEBI:172390 ! glycol ether -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XNWFRZJHXBZDAG-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "76.09442" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.05243" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COCCO" xsd:string [Term] id: CHEBI:46883 @@ -12895,16 +9704,10 @@ subset: 3_STAR synonym: "-C(O)OH" RELATED [IUPAC] synonym: "-CO2H" RELATED [ChEBI] synonym: "-COOH" RELATED [IUPAC] -synonym: "carboxy" EXACT IUPAC_NAME [IUPAC] synonym: "CARBOXY GROUP" EXACT [PDBeChem] synonym: "carboxyl group" RELATED [ChEBI] xref: PDBeChem:FMT is_a: CHEBI:33249 ! organyl group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01744" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C(=O)O" xsd:string [Term] id: CHEBI:47017 @@ -13021,7 +9824,6 @@ name: polar solvent namespace: chebi_ontology def: "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds." [] subset: 3_STAR -synonym: "polar solvent" EXACT IUPAC_NAME [IUPAC] synonym: "polar solvents" RELATED [ChEBI] is_a: CHEBI:46787 ! solvent @@ -13038,7 +9840,6 @@ name: protic solvent namespace: chebi_ontology def: "A polar solvent that is capable of acting as a hydron (proton) donor." [] subset: 3_STAR -synonym: "protogenic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:39141 ! Bronsted acid is_a: CHEBI:48354 ! polar solvent @@ -13055,7 +9856,6 @@ name: polar aprotic solvent namespace: chebi_ontology def: "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds." [] subset: 3_STAR -synonym: "dipolar aprotic solvent" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:48354 ! polar solvent is_a: CHEBI:48357 ! aprotic solvent @@ -13065,7 +9865,6 @@ name: carbamimidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carbamimic acid" RELATED [ChemIDplus] -synonym: "carbamimidic acid" EXACT IUPAC_NAME [IUPAC] synonym: "carbonamidimidic acid" RELATED [IUPAC] synonym: "H2N-C(=NH)-OH" RELATED [IUPAC] synonym: "H2N-C(OH)=NH" RELATED [IUPAC] @@ -13073,18 +9872,9 @@ synonym: "HO-C(=NH)-NH2" RELATED [IUPAC] synonym: "Isoharnstoff" RELATED [ChEBI] synonym: "isourea" RELATED [ChemIDplus] synonym: "pseudourea" RELATED [ChemIDplus] -xref: Beilstein:773698 {source="Beilstein"} -xref: CAS:4744-36-9 {source="ChemIDplus"} is_a: CHEBI:48379 ! isourea is_a: CHEBI:64708 ! one-carbon compound relationship: is_tautomer_of CHEBI:16199 ! urea -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH4N2O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XSQUKJJJFZCRTK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05534" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.03236" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(O)=N" xsd:string [Term] id: CHEBI:48377 @@ -13093,7 +9883,6 @@ namespace: chebi_ontology def: "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH)." [] subset: 3_STAR synonym: "imidic acid" EXACT [ChEBI] -synonym: "imidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "imidic acids" RELATED [ChEBI] synonym: "imino acids" RELATED [IUPAC] is_a: CHEBI:33241 ! oxoacid derivative @@ -13105,7 +9894,6 @@ name: carboximidic acid namespace: chebi_ontology subset: 3_STAR synonym: "carboximidic acid" EXACT [ChEBI] -synonym: "carboximidic acids" EXACT IUPAC_NAME [IUPAC] synonym: "carboximidic acids" RELATED [ChEBI] is_a: CHEBI:35352 ! organonitrogen compound is_a: CHEBI:48377 ! imidic acid @@ -13116,7 +9904,6 @@ name: isourea namespace: chebi_ontology def: "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives." [] subset: 3_STAR -synonym: "isoureas" EXACT IUPAC_NAME [IUPAC] synonym: "isoureas" RELATED [ChEBI] is_a: CHEBI:48378 ! carboximidic acid @@ -13145,7 +9932,6 @@ name: antagonist namespace: chebi_ontology def: "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances." [] subset: 3_STAR -synonym: "antagonist" EXACT IUPAC_NAME [IUPAC] synonym: "antagonista" RELATED [ChEBI] synonym: "antagoniste" RELATED [ChEBI] synonym: "antagonists" RELATED [ChEBI] @@ -13161,32 +9947,18 @@ subset: 3_STAR synonym: "[SO(OH)2]" RELATED [IUPAC] synonym: "acide sulfureux" RELATED [ChEBI] synonym: "acido sulfuroso" RELATED [ChEBI] -synonym: "dihydrogen trioxosulfate" EXACT IUPAC_NAME [IUPAC] -synonym: "dihydroxidooxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "H2SO3" RELATED [IUPAC] synonym: "S(O)(OH)2" RELATED [IUPAC] synonym: "schweflige Saeure" RELATED [ChemIDplus] synonym: "Sulfite" RELATED [KEGG_COMPOUND] synonym: "Sulfurous acid" EXACT [KEGG_COMPOUND] -synonym: "sulfurous acid" EXACT IUPAC_NAME [IUPAC] synonym: "sulphurous acid" RELATED [ChemIDplus] -synonym: "trioxosulfuric acid" EXACT IUPAC_NAME [IUPAC] -xref: CAS:7782-99-2 {source="ChemIDplus"} -xref: Gmelin:1458 {source="Gmelin"} xref: KEGG:C00094 xref: KNApSAcK:C00019662 xref: PDBeChem:SO3 -xref: UM-BBD_compID:c0348 {source="UM-BBD"} is_a: CHEBI:33402 ! sulfur oxoacid relationship: is_conjugate_acid_of CHEBI:17137 ! hydrogensulfite relationship: is_tautomer_of CHEBI:29214 ! sulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "82.08008" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "81.97247" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(O)=O" xsd:string [Term] id: CHEBI:48857 @@ -13229,10 +10001,6 @@ xref: KEGG:C02850 is_a: CHEBI:21644 ! N-acyl-L-amino acid relationship: has_functional_parent CHEBI:15705 ! L-alpha-amino acid relationship: is_conjugate_acid_of CHEBI:59874 ! N-acyl-L-alpha-amino acid anion -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H3NO3R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "101.061" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.01129" xsd:string [Term] id: CHEBI:49637 @@ -13244,7 +10012,6 @@ subset: 3_STAR synonym: "1H" RELATED [IUPAC] synonym: "H" RELATED [IUPAC] synonym: "hidrogeno" RELATED [ChEBI] -synonym: "hydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "hydrogen" RELATED [ChEBI] synonym: "hydrogene" RELATED [ChEBI] synonym: "Wasserstoff" RELATED [ChEBI] @@ -13254,13 +10021,6 @@ is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:25585 ! nonmetal atom is_a: CHEBI:33559 ! s-block element atom relationship: RO:0000087 CHEBI:33937 ! has role macronutrient -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "1.00794" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]" xsd:string [Term] id: CHEBI:50047 @@ -13284,7 +10044,6 @@ alt_id: CHEBI:50101 def: "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups." [] subset: 3_STAR synonym: "1-(aminocarbonyl)-1-methyl-2-oxohydrazine" RELATED [NIST_Chemistry_WebBook] -synonym: "1-methyl-1-nitrosourea" EXACT IUPAC_NAME [IUPAC] synonym: "1-nitroso-1-methylurea" RELATED [ChemIDplus] synonym: "Methylnitrosoharnstoff" RELATED [ChEBI] synonym: "Methylnitrosourea" RELATED [KEGG_COMPOUND] @@ -13302,32 +10061,13 @@ synonym: "N-nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "nitrosomethylurea" RELATED [NIST_Chemistry_WebBook] synonym: "NMH" RELATED [ChemIDplus] synonym: "NMU" RELATED [ChemIDplus] -xref: Beilstein:1756040 {source="Beilstein"} -xref: CAS:684-93-5 {source="KEGG COMPOUND"} -xref: CAS:684-93-5 {source="NIST Chemistry WebBook"} -xref: CAS:684-93-5 {source="ChemIDplus"} xref: KEGG:C14595 -xref: PMID:11479921 {source="Europe PMC"} -xref: PMID:12767522 {source="Europe PMC"} -xref: PMID:15990165 {source="Europe PMC"} -xref: PMID:19181008 {source="Europe PMC"} -xref: PMID:24441676 {source="Europe PMC"} -xref: PMID:6243984 {source="Europe PMC"} -xref: PMID:8098217 {source="Europe PMC"} -xref: PMID:8603364 {source="Europe PMC"} xref: Wikipedia:N-Methyl-N-nitrosourea is_a: BFO:0000004 ! independent continuant is_a: CHEBI:76551 ! N-nitrosoureas relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent relationship: RO:0000087 CHEBI:50903 ! has role carcinogenic agent relationship: RO:0000087 CHEBI:50905 ! has role teratogenic agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5N3O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRKWMRDKSOPRRS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "103.08012" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.03818" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CN(N=O)C(N)=O" xsd:string [Term] id: CHEBI:50218 @@ -13361,27 +10101,6 @@ namespace: chebi_ontology def: "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug." [] subset: 3_STAR synonym: "Prodrugs" RELATED [ChEBI] -xref: PMID:23993918 {source="Europe PMC"} -xref: PMID:23998799 {source="Europe PMC"} -xref: PMID:24329110 {source="Europe PMC"} -xref: PMID:24628402 {source="Europe PMC"} -xref: PMID:24709544 {source="Europe PMC"} -xref: PMID:25144792 {source="Europe PMC"} -xref: PMID:25157234 {source="Europe PMC"} -xref: PMID:25269430 {source="Europe PMC"} -xref: PMID:25391982 {source="Europe PMC"} -xref: PMID:25591121 {source="Europe PMC"} -xref: PMID:25620096 {source="Europe PMC"} -xref: PMID:25795057 {source="Europe PMC"} -xref: PMID:26028253 {source="Europe PMC"} -xref: PMID:26184144 {source="Europe PMC"} -xref: PMID:28070577 {source="Europe PMC"} -xref: PMID:28215138 {source="Europe PMC"} -xref: PMID:28219047 {source="Europe PMC"} -xref: PMID:28259775 {source="Europe PMC"} -xref: PMID:28319647 {source="Europe PMC"} -xref: PMID:28329729 {source="Europe PMC"} -xref: PMID:28334528 {source="Europe PMC"} xref: Wikipedia:Prodrug is_a: CHEBI:136859 ! pro-agent is_a: CHEBI:23888 ! drug @@ -13449,7 +10168,6 @@ name: onium cation namespace: chebi_ontology def: "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families." [] subset: 3_STAR -synonym: "onium cations" EXACT IUPAC_NAME [IUPAC] synonym: "onium cations" RELATED [ChEBI] synonym: "onium ion" RELATED [ChEBI] synonym: "onium ions" RELATED [ChEBI] @@ -13461,18 +10179,9 @@ name: fluoronium namespace: chebi_ontology subset: 3_STAR synonym: "[FH2](+)" RELATED [ChEBI] -synonym: "fluoranium" EXACT IUPAC_NAME [IUPAC] -synonym: "fluoronium" EXACT IUPAC_NAME [IUPAC] synonym: "H2F(+)" RELATED [IUPAC] is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:29228 ! hydrogen fluoride -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "FH2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH2/h1H2/q+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNESUKSMQODWNS-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "21.01428" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "21.01350" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][F+][H]" xsd:string [Term] id: CHEBI:50315 @@ -13480,19 +10189,9 @@ name: chloronium namespace: chebi_ontology subset: 3_STAR synonym: "[ClH2](+)" RELATED [IUPAC] -synonym: "chloranium" EXACT IUPAC_NAME [IUPAC] -synonym: "chloronium" EXACT IUPAC_NAME [IUPAC] synonym: "H2Cl(+)" RELATED [IUPAC] -xref: Gmelin:331 {source="Gmelin"} is_a: CHEBI:50313 ! onium cation relationship: is_conjugate_acid_of CHEBI:17883 ! hydrogen chloride -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH2/h1H2/q+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGJWHVUMEJASKV-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "37.46858" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "36.98395" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][Cl+][H]" xsd:string [Term] id: CHEBI:50319 @@ -13531,27 +10230,15 @@ subset: 3_STAR synonym: "-CH2-SH" RELATED [IUPAC] synonym: "cysteine side-chain" RELATED [ChEBI] synonym: "HS-CH2-" RELATED [IUPAC] -synonym: "sulfanylmethyl" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "47.10052" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "46.99555" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "SC*" xsd:string [Term] id: CHEBI:50329 name: 2-carboxyethyl group namespace: chebi_ontology subset: 3_STAR -synonym: "2-carboxyethyl" EXACT IUPAC_NAME [IUPAC] synonym: "glutamic acid side-chain" RELATED [ChEBI] is_a: CHEBI:50325 ! proteinogenic amino-acid side-chain group -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H5O2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "73.07060" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.02895" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CC(=O)O)*" xsd:string [Term] id: CHEBI:50683 @@ -13609,7 +10296,6 @@ synonym: "O-glycosylglycosides" RELATED [ChEBI] synonym: "oligosacarido" RELATED [ChEBI] synonym: "oligosacaridos" RELATED [IUPAC] synonym: "Oligosaccharide" EXACT [KEGG_COMPOUND] -synonym: "oligosaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00930 is_a: CHEBI:16646 ! carbohydrate is_a: CHEBI:167559 ! glycan @@ -13956,19 +10642,10 @@ id: CHEBI:50929 name: aziridinium namespace: chebi_ontology subset: 3_STAR -synonym: "aziridinium" EXACT IUPAC_NAME [IUPAC] synonym: "aziridinium ion" RELATED [ChEBI] -xref: Gmelin:322803 {source="Gmelin"} is_a: CHEBI:37949 ! azacycloalkane is_a: CHEBI:50946 ! aziridinium ion relationship: is_conjugate_acid_of CHEBI:30969 ! aziridine -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NOWKCMXCCJGMRR-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.07578" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.04948" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1C[NH2+]1" xsd:string [Term] id: CHEBI:50930 @@ -14008,26 +10685,11 @@ def: "A thioxanthen-9-one compound having a methyl substituent at the 1-position subset: 3_STAR synonym: "1-((2-(diethylamino)ethyl)amino)-4-methylthioxanthen-9-one" RELATED [ChemIDplus] synonym: "1-diethylaminoethylethylamino-4-methyl-thioxanthenone" RELATED [ChEBI] -synonym: "1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one" EXACT IUPAC_NAME [IUPAC] synonym: "1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one" RELATED [ChEBI] synonym: "Lucanthone" EXACT [KEGG_COMPOUND] -synonym: "lucanthone" RELATED INN [WHO_MedNet] -synonym: "lucanthone" RELATED INN [ChemIDplus] -synonym: "lucanthonum" RELATED INN [ChemIDplus] -synonym: "lucantona" RELATED INN [ChemIDplus] -xref: Beilstein:312369 {source="Beilstein"} -xref: CAS:479-50-5 {source="ChemIDplus"} -xref: CAS:479-50-5 {source="KEGG COMPOUND"} -xref: Drug_Central:1616 {source="DrugCentral"} xref: DrugBank:DB04967 xref: HMDB:HMDB0015607 xref: KEGG:C11715 -xref: PMID:21148553 {source="Europe PMC"} -xref: PMID:21935361 {source="Europe PMC"} -xref: PMID:4368942 {source="Europe PMC"} -xref: PMID:6887199 {source="Europe PMC"} -xref: PMID:9169823 {source="Europe PMC"} -xref: Reaxys:312369 {source="Reaxys"} xref: Wikipedia:Lucanthone is_a: BFO:0000004 ! independent continuant is_a: CHEBI:50930 ! thioxanthenes @@ -14039,13 +10701,6 @@ relationship: RO:0000087 CHEBI:50266 ! has role prodrug relationship: RO:0000087 CHEBI:50276 ! has role EC 5.99.1.2 (DNA topoisomerase) inhibitor relationship: RO:0000087 CHEBI:50750 ! has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor relationship: RO:0000087 CHEBI:60809 ! has role adjuvant -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H24N2OS" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBQPGGIHOFZRGH-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "340.48200" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.16093" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12" xsd:string [Term] id: CHEBI:51061 @@ -14076,16 +10731,7 @@ id: CHEBI:51070 name: Janus Green B cation namespace: chebi_ontology subset: 3_STAR -synonym: "3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:9234599 {source="Beilstein"} is_a: CHEBI:39201 ! phenazines -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H31N6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H31N6/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4/h7-21H,5-6H2,1-4H3/q+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TYOFQDFFFPHHNT-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "475.60758" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "475.26047" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\\N=N\\c1ccc(cc1)N(C)C" xsd:string [Term] id: CHEBI:51086 @@ -14135,18 +10781,8 @@ name: diamminedichloroplatinum namespace: chebi_ontology subset: 3_STAR synonym: "diammine(dichloro)platinum" RELATED [ChEBI] -synonym: "diamminedichloridoplatinum" EXACT IUPAC_NAME [IUPAC] -synonym: "diamminedichloridoplatinum(II)" EXACT IUPAC_NAME [IUPAC] -synonym: "diamminedichloroplatinum" EXACT IUPAC_NAME [IUPAC] -synonym: "diamminedichloroplatinum(II)" EXACT IUPAC_NAME [IUPAC] synonym: "diammineplatinum dichloride" RELATED [NIST_Chemistry_WebBook] -xref: CAS:14913-33-8 {source="NIST Chemistry WebBook"} -xref: Gmelin:101110 {source="Gmelin"} is_a: CHEBI:33862 ! platinum coordination entity -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2H6N2Pt" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "300.045" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "298.95559" xsd:string [Term] id: CHEBI:51336 @@ -14171,30 +10807,12 @@ synonym: "2,3-benzphenanthrene" RELATED [ChemIDplus] synonym: "Benz[a]anthracene" RELATED [KEGG_COMPOUND] synonym: "benzanthrene" RELATED [NIST_Chemistry_WebBook] synonym: "naphthanthracene" RELATED [ChemIDplus] -synonym: "tetraphene" EXACT IUPAC_NAME [IUPAC] -xref: Beilstein:1909298 {source="Beilstein"} -xref: CAS:56-55-3 {source="ChemIDplus"} -xref: CAS:56-55-3 {source="NIST Chemistry WebBook"} -xref: CAS:56-55-3 {source="KEGG COMPOUND"} -xref: Gmelin:244702 {source="Gmelin"} xref: KEGG:C14317 xref: Patent:DE481819 xref: Patent:DE486766 -xref: PMID:25528193 {source="Europe PMC"} -xref: PMID:25528488 {source="Europe PMC"} -xref: PMID:26720419 {source="Europe PMC"} -xref: PMID:7561049 {source="Europe PMC"} -xref: Reaxys:1909298 {source="Reaxys"} xref: Wikipedia:Tetraphene is_a: CHEBI:35296 ! ortho-fused polycyclic arene is_a: CHEBI:51067 ! tetraphenes -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H12" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DXBHBZVCASKNBY-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "228.28788" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.09390" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccc2cc3c(ccc4ccccc34)cc2c1" xsd:string [Term] id: CHEBI:51422 @@ -14326,7 +10944,6 @@ name: butanediol namespace: chebi_ontology def: "A member of the class of butanediols that is butane in which two of the hydrogens have been replaced by hydroxy groups." [] subset: 3_STAR -synonym: "butanediol" EXACT IUPAC_NAME [IUPAC] synonym: "butanediols" RELATED [ChEBI] is_a: CHEBI:22944 ! butanediols relationship: has_parent_hydride CHEBI:37808 ! butane @@ -14340,30 +10957,14 @@ subset: 3_STAR synonym: "1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one" RELATED [ChemIDplus] synonym: "1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one" RELATED [ChemIDplus] synonym: "1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one" RELATED [ChEBI] -synonym: "1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one" EXACT IUPAC_NAME [IUPAC] -synonym: "hicantona" RELATED INN [ChemIDplus] synonym: "Hycanthon" RELATED [ChemIDplus] synonym: "Hycanthone" EXACT [KEGG_DRUG] -synonym: "hycanthone" RELATED INN [WHO_MedNet] -synonym: "hycanthone" RELATED INN [KEGG_DRUG] -synonym: "hycanthonum" RELATED INN [ChemIDplus] synonym: "Lucanthone metabolite" RELATED [ChemIDplus] -xref: Beilstein:1402722 {source="Beilstein"} -xref: CAS:3105-97-3 {source="KEGG DRUG"} -xref: CAS:3105-97-3 {source="ChemIDplus"} -xref: Drug_Central:1383 {source="DrugCentral"} xref: KEGG:D00541 xref: LINCS:LSM-5614 xref: Patent:NL6410359 xref: Patent:US3294803 xref: Patent:US3312598 -xref: PMID:1888160 {source="Europe PMC"} -xref: PMID:21935361 {source="Europe PMC"} -xref: PMID:2957147 {source="Europe PMC"} -xref: PMID:5573958 {source="Europe PMC"} -xref: PMID:626982 {source="Europe PMC"} -xref: PMID:7369442 {source="Europe PMC"} -xref: Reaxys:1402722 {source="Reaxys"} xref: Wikipedia:Hycanthone is_a: BFO:0000004 ! independent continuant is_a: CHEBI:50930 ! thioxanthenes @@ -14371,13 +10972,6 @@ relationship: has_functional_parent CHEBI:51052 ! lucanthone relationship: is_conjugate_base_of CHEBI:67141 ! hycanthone(1+) relationship: RO:0000087 CHEBI:25435 ! has role mutagen relationship: RO:0000087 CHEBI:38941 ! has role schistosomicide drug -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H24N2O2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFZWMTSUNYWVBU-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "356.48200" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "356.15585" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12" xsd:string [Term] id: CHEBI:53121 @@ -14399,7 +10993,6 @@ synonym: "(3)HTdR" RELATED [ChEBI] synonym: "(3H)Thymidine" RELATED [ChemIDplus] synonym: "Thymidine-(H-3)" RELATED [ChemIDplus] synonym: "tritiated thymidines" RELATED [ChEBI] -xref: CAS:50-88-4 {source="ChemIDplus"} is_a: CHEBI:139359 ! tritiated compound is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside relationship: has_functional_parent CHEBI:17748 ! thymidine @@ -14424,19 +11017,11 @@ namespace: chebi_ontology def: "A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." [] subset: 3_STAR synonym: "(2R)-2-ammonio-3-phenylpropanoate" RELATED [IUPAC] -synonym: "(2R)-2-azaniumyl-3-phenylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "D-phenylalanine" RELATED [UniProt] xref: MetaCyc:CPD-216 is_a: CHEBI:59871 ! D-alpha-amino acid zwitterion relationship: is_enantiomer_of CHEBI:58095 ! L-phenylalanine zwitterion relationship: is_tautomer_of CHEBI:16998 ! D-phenylalanine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-MRVPVSSYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18910" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:58095 @@ -14445,21 +11030,12 @@ namespace: chebi_ontology def: "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3." [] subset: 3_STAR synonym: "(2S)-2-ammonio-3-phenylpropanoate" RELATED [IUPAC] -synonym: "(2S)-2-azaniumyl-3-phenylpropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "L-phenylalanine" RELATED [UniProt] synonym: "phenylalanine" RELATED [ChEBI] xref: MetaCyc:PHE -xref: PMID:21956539 {source="Europe PMC"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_enantiomer_of CHEBI:57981 ! D-phenylalanine zwitterion relationship: is_tautomer_of CHEBI:17295 ! L-phenylalanine -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-QMMMGPOBSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18910" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H](Cc1ccccc1)C([O-])=O" xsd:string [Term] id: CHEBI:58951 @@ -14471,11 +11047,6 @@ synonym: "a short-chain fatty acid" RELATED [UniProt] synonym: "short-chain fatty acid anions" RELATED [ChEBI] is_a: CHEBI:28868 ! fatty acid anion relationship: is_conjugate_base_of CHEBI:26666 ! short-chain fatty acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([*])=O" xsd:string [Term] id: CHEBI:58953 @@ -14507,11 +11078,6 @@ is_a: CHEBI:25696 ! organic anion is_a: CHEBI:33482 ! sulfur oxoanion relationship: has_functional_parent CHEBI:16189 ! sulfate relationship: is_conjugate_base_of CHEBI:25704 ! organic sulfate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.06300" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:59202 @@ -14573,11 +11139,6 @@ subset: 3_STAR synonym: "L-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:15705 ! L-alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:59869 @@ -14589,11 +11150,6 @@ synonym: "an L-alpha-amino acid" RELATED [UniProt] synonym: "L-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:78608 ! alpha-amino acid zwitterion relationship: is_tautomer_of CHEBI:15705 ! L-alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59871 @@ -14605,11 +11161,6 @@ synonym: "a D-alpha-amino acid" RELATED [UniProt] synonym: "D-alpha-amino acid zwitterions" RELATED [ChEBI] is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:16733 ! D-alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+][C@H]([*])C([O-])=O" xsd:string [Term] id: CHEBI:59874 @@ -14622,11 +11173,6 @@ synonym: "N-acyl-L-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: has_functional_parent CHEBI:59814 ! L-alpha-amino acid anion relationship: is_conjugate_base_of CHEBI:48927 ! N-acyl-L-alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59876 @@ -14638,11 +11184,6 @@ synonym: "an N-acyl-D-amino acid" RELATED [UniProt] synonym: "N-acyl-D-alpha-amino acid(1-)" RELATED [ChEBI] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:15778 ! N-acyl-D-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H2NO3R2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "100.05290" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.00347" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C(=O)[C@@H]([*])NC([*])=O" xsd:string [Term] id: CHEBI:59897 @@ -14720,11 +11261,6 @@ synonym: "diaminomethaniminium ion" RELATED [ChEBI] synonym: "diaminomethaniminium ions" RELATED [ChEBI] synonym: "guanidinium ions" RELATED [ChEBI] is_a: CHEBI:35286 ! iminium ion -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CHN3R5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "55.039" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.01705" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=[N+]([H])*)(N(*)*)N(*)*" xsd:string [Term] id: CHEBI:60466 @@ -14736,8 +11272,6 @@ synonym: "a peptide" RELATED [UniProt] synonym: "peptide zwitterions" RELATED [ChEBI] is_a: CHEBI:27369 ! zwitterion relationship: is_tautomer_of CHEBI:16670 ! peptide -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R(C2H2NOR)n" xsd:string [Term] id: CHEBI:60809 @@ -14767,11 +11301,6 @@ synonym: "D-alpha-amino acid anions" RELATED [ChEBI] synonym: "D-alpha-amino carboxylate" RELATED [ChEBI] is_a: CHEBI:33558 ! alpha-amino-acid anion relationship: is_conjugate_base_of CHEBI:16733 ! D-alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "73.051" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.01638" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H](C(=O)[O-])(N)*" xsd:string [Term] id: CHEBI:61015 @@ -14802,18 +11331,9 @@ name: hesperetin(1-) namespace: chebi_ontology def: "A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group." [] subset: 3_STAR -synonym: "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate" EXACT IUPAC_NAME [IUPAC] synonym: "hesperetin anion" RELATED [ChEBI] -xref: MetaCyc:CPD-7072 {source="SUBMITTER"} is_a: CHEBI:60038 ! flavonoid oxoanion relationship: is_conjugate_base_of CHEBI:28230 ! hesperetin -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H13O6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AIONOLUJZLIMTK-AWEZNQCLSA-M" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "301.27080" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "301.07176" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1" xsd:string [Term] id: CHEBI:616459 @@ -14836,7 +11356,6 @@ synonym: "microtubule destabilizing role" RELATED [SUBMITTER] synonym: "microtubule-destabilising agents" RELATED [ChEBI] synonym: "microtubule-destabilizing agent" RELATED [ChEBI] synonym: "microtubule-destabilizing agents" RELATED [ChEBI] -xref: PMID:17099073 {source="Europe PMC"} is_a: CHEBI:60832 ! tubulin modulator is_a: CHEBI:64911 ! antimitotic @@ -14847,14 +11366,8 @@ namespace: chebi_ontology def: "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group." [] subset: 2_STAR synonym: "a polar amino acid" RELATED [UniProt] -xref: MetaCyc:Polar-amino-acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:26167 ! polar amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C([O-])=O)(*)[NH3+]" xsd:string [Term] id: CHEBI:62081 @@ -14870,11 +11383,6 @@ xref: MetaCyc:Alkanesulfonates is_a: BFO:0000004 ! independent continuant is_a: CHEBI:134249 ! alkanesulfonate oxoanion relationship: RO:0000087 CHEBI:35703 ! has role xenobiotic -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CH2O3SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "94.09000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.97246" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C([H])([*])S([O-])(=O)=O" xsd:string [Term] id: CHEBI:62501 @@ -14884,24 +11392,13 @@ def: "The dicarboxylic acid dianion formed from folic acid by loss of a proton f subset: 3_STAR synonym: "folate" RELATED [UniProt] synonym: "folate" RELATED [MetaCyc] -synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "pteroyl-L-glutamate" RELATED [ChEBI] synonym: "pteroyl-L-monoglutamate" RELATED [ChEBI] synonym: "pteroylglutamate" RELATED [ChEBI] -xref: MetaCyc:CPD-12826 {source="SUBMITTER"} -xref: PMCID:PMC8181341 {source="Europe PMC"} -xref: PMID:34051149 {source="Europe PMC"} is_a: CHEBI:28965 ! dicarboxylic acid dianion is_a: CHEBI:67011 ! folates relationship: is_conjugate_base_of CHEBI:27470 ! folic acid relationship: RO:0000087 CHEBI:75772 ! has role Saccharomyces cerevisiae metabolite -property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H17N7O6" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-L" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "439.38160" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "439.12513" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:62803 @@ -15017,7 +11514,6 @@ name: telbivudine namespace: chebi_ontology def: "A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase." [] subset: 3_STAR -synonym: "1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1-(2-deoxy-beta-L-ribofuranosyl)-5-methyluracil" RELATED [ChEBI] synonym: "2'-Deoxy-L-thymidine" RELATED [DrugBank] synonym: "beta-L-2'-deoxythymidine" RELATED [ChEBI] @@ -15027,25 +11523,8 @@ synonym: "L-deoxythymidine" RELATED [DrugBank] synonym: "L-DT" RELATED [DrugBank] synonym: "L-thymidine" RELATED [DrugBank] synonym: "LDT" RELATED [DrugBank] -synonym: "telbivudine" RELATED INN [KEGG_DRUG] -xref: CAS:3424-98-4 {source="ChemIDplus"} -xref: Drug_Central:4220 {source="DrugCentral"} xref: DrugBank:DB01265 xref: KEGG:D06675 -xref: PMID:21040410 {source="Europe PMC"} -xref: PMID:21147187 {source="Europe PMC"} -xref: PMID:21457439 {source="Europe PMC"} -xref: PMID:21586234 {source="Europe PMC"} -xref: PMID:21642814 {source="Europe PMC"} -xref: PMID:21670922 {source="Europe PMC"} -xref: PMID:21703206 {source="Europe PMC"} -xref: PMID:21748522 {source="Europe PMC"} -xref: PMID:22093034 {source="Europe PMC"} -xref: PMID:22132702 {source="Europe PMC"} -xref: PMID:22174039 {source="Europe PMC"} -xref: PMID:22233255 {source="Europe PMC"} -xref: PMID:22257108 {source="Europe PMC"} -xref: Reaxys:754297 {source="Reaxys"} xref: Wikipedia:Telbivudine is_a: BFO:0000004 ! independent continuant is_a: CHEBI:19255 ! pyrimidine 2'-deoxyribonucleoside @@ -15053,13 +11532,6 @@ relationship: has_functional_parent CHEBI:17821 ! thymine relationship: is_enantiomer_of CHEBI:17748 ! thymidine relationship: RO:0000087 CHEBI:36044 ! has role antiviral drug relationship: RO:0000087 CHEBI:59897 ! has role EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14N2O5" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQFYYKKMVGJFEH-CSMHCCOUSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "242.22860" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.09027" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O" xsd:string [Term] id: CHEBI:64047 @@ -15222,20 +11694,9 @@ synonym: "2,5-hexanediol dimesylate" RELATED [ChEBI] synonym: "2,5-hexanediol dimethylsulfonate" RELATED [ChemIDplus] synonym: "dimethylbusulfan" RELATED [ChemIDplus] synonym: "DMM" RELATED [ChemIDplus] -synonym: "hexane-2,5-diyl dimethanesulfonate" EXACT IUPAC_NAME [IUPAC] -xref: CAS:55-93-6 {source="ChemIDplus"} -xref: PMID:3800321 {source="Europe PMC"} -xref: Reaxys:1796040 {source="Reaxys"} is_a: BFO:0000004 ! independent continuant is_a: CHEBI:25223 ! methanesulfonate ester relationship: RO:0000087 CHEBI:22333 ! has role alkylating agent -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H18O6S2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JDZNTUQRMDAIRO-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "274.35500" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.05448" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O" xsd:string [Term] id: CHEBI:67114 @@ -15251,10 +11712,6 @@ synonym: "RyR agonist" RELATED [ChEBI] synonym: "RyR agonists" RELATED [ChEBI] synonym: "RyRs activator" RELATED [ChEBI] synonym: "RyRs agonist" RELATED [ChEBI] -xref: PMID:30679133 {source="Europe PMC"} -xref: PMID:30684528 {source="Europe PMC"} -xref: PMID:31840405 {source="Europe PMC"} -xref: PMID:8597061 {source="Europe PMC"} xref: Wikipedia:Ryanodine_receptor is_a: CHEBI:38809 ! ryanodine receptor modulator @@ -15264,17 +11721,8 @@ name: hycanthone(1+) namespace: chebi_ontology def: "An ammonium ion resulting from the protonation of the tertiary amino group of lycanthone." [] subset: 3_STAR -synonym: "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium" EXACT IUPAC_NAME [IUPAC] -xref: Reaxys:19574704 {source="Reaxys"} is_a: CHEBI:35274 ! ammonium ion derivative relationship: is_conjugate_acid_of CHEBI:52768 ! hycanthone -property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H25N2O2S" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3/p+1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFZWMTSUNYWVBU-UHFFFAOYSA-O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "357.49000" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "357.16313" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12" xsd:string [Term] id: CHEBI:67142 @@ -15533,12 +11981,6 @@ synonym: "B-group vitamin" RELATED [ChEBI] synonym: "B-group vitamins" RELATED [ChEBI] synonym: "vitamin B" RELATED [ChEBI] xref: MetaCyc:B-vitamins -xref: PMID:22743781 {source="Europe PMC"} -xref: PMID:23093174 {source="Europe PMC"} -xref: PMID:23238962 {source="Europe PMC"} -xref: PMID:23449527 {source="Europe PMC"} -xref: PMID:23462586 {source="Europe PMC"} -xref: PMID:23690582 {source="Europe PMC"} xref: Wikipedia:B_vitamin is_a: BFO:0000004 ! independent continuant is_a: CHEBI:35352 ! organonitrogen compound @@ -15594,14 +12036,8 @@ def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy subset: 3_STAR synonym: "an aromatic amino-acid" RELATED [UniProt] synonym: "aromatic amino-acid zwitterions" RELATED [ChEBI] -xref: MetaCyc:Aromatic-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33856 ! aromatic amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:76206 @@ -15619,8 +12055,6 @@ namespace: chebi_ontology def: "A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans." [] subset: 3_STAR synonym: "propellants" RELATED [ChEBI] -xref: PMID:22519407 {source="Europe PMC"} -xref: PMID:24001847 {source="Europe PMC"} is_a: CHEBI:33232 ! application [Term] @@ -16051,7 +12485,6 @@ subset: 3_STAR synonym: "blister agent" RELATED [ChEBI] synonym: "blister agents" RELATED [ChEBI] synonym: "vesicants" RELATED [ChEBI] -xref: PMID:16168310 {source="Europe PMC"} xref: Wikipedia:Blister_agent is_a: CHEBI:52208 ! biophysical role @@ -16063,14 +12496,8 @@ alt_id: CHEBI:83409 def: "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3." [] subset: 3_STAR synonym: "an alpha-amino acid" RELATED [UniProt] -xref: MetaCyc:Alpha-Amino-Acids {source="SUBMITTER"} is_a: CHEBI:35238 ! amino acid zwitterion relationship: is_tautomer_of CHEBI:33704 ! alpha-amino acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4NO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "74.059" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.02420" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH3+]C([*])C([O-])=O" xsd:string [Term] id: CHEBI:78616 @@ -16160,11 +12587,6 @@ synonym: "organosulfonic esters" RELATED [ChEBI] is_a: CHEBI:33424 ! sulfur oxoacid derivative is_a: CHEBI:35701 ! ester relationship: has_functional_parent CHEBI:33551 ! organosulfonic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O3SR2" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06300" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95681" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:83414 @@ -16174,14 +12596,8 @@ def: "An organosulfate oxoanion obtained by deprotonation of the sulfo group of subset: 3_STAR synonym: "alkyl sulfate anion" RELATED [ChEBI] synonym: "an alkyl sulfate" RELATED [UniProt] -xref: MetaCyc:Organo-Sulfates {source="SUBMITTER"} is_a: CHEBI:58958 ! organosulfate oxoanion relationship: is_conjugate_base_of CHEBI:29281 ! alkyl sulfate -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "O4SR" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "96.064" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "95.95173" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S(=O)(=O)O[*]" xsd:string [Term] id: CHEBI:83811 @@ -16341,14 +12757,6 @@ synonym: "skin depigmenting agents" RELATED [ChEBI] synonym: "skin lightening agents" RELATED [ChEBI] synonym: "skin whitening agent" RELATED [ChEBI] synonym: "skin whitening agents" RELATED [ChEBI] -xref: PMID:21265866 {source="Europe PMC"} -xref: PMID:22132817 {source="Europe PMC"} -xref: PMID:22314516 {source="Europe PMC"} -xref: PMID:23891889 {source="Europe PMC"} -xref: PMID:23974587 {source="Europe PMC"} -xref: PMID:25535470 {source="Europe PMC"} -xref: PMID:25574195 {source="Europe PMC"} -xref: PMID:25643794 {source="Europe PMC"} xref: Wikipedia:Skin_whitening is_a: CHEBI:64857 ! cosmetic @@ -16369,27 +12777,17 @@ def: "A member of the class of acridines that is acridine substituted by a chlor subset: 3_STAR synonym: "2-methoxy-6-chloro-9-diethylaminopentylaminoacridine" RELATED [ChemIDplus] synonym: "3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine" RELATED [ChemIDplus] -synonym: "4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine" EXACT IUPAC_NAME [IUPAC] synonym: "6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine" RELATED [ChemIDplus] synonym: "Mepacrine" RELATED [KEGG_COMPOUND] synonym: "mepacrine" RELATED [ChemIDplus] synonym: "N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine" RELATED [ChemIDplus] synonym: "Quinacrine" EXACT [KEGG_COMPOUND] -xref: Beilstein:497807 {source="Beilstein"} -xref: Beilstein:95500 {source="Beilstein"} -xref: CAS:83-89-6 {source="ChemIDplus"} -xref: CAS:83-89-6 {source="KEGG COMPOUND"} -xref: Drug_Central:2338 {source="DrugCentral"} xref: DrugBank:DB01103 xref: HMDB:HMDB0015235 xref: KEGG:C07339 xref: KEGG:D08179 xref: LINCS:LSM-1577 xref: MetaCyc:ATABRINE -xref: PMID:11339632 {source="Europe PMC"} -xref: PMID:11908878 {source="Europe PMC"} -xref: PMID:19747949 {source="Europe PMC"} -xref: Reaxys:95500 {source="Reaxys"} xref: Wikipedia:Quinacrine is_a: CHEBI:22213 ! acridines is_a: CHEBI:35618 ! aromatic ether @@ -16398,13 +12796,6 @@ is_a: CHEBI:50996 ! tertiary amino compound relationship: has_parent_hydride CHEBI:36420 ! acridine relationship: RO:0000087 CHEBI:38068 ! has role antimalarial relationship: RO:0000087 CHEBI:77402 ! has role EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor -property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H30ClN3O" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GPKJTRJOBQGKQK-UHFFFAOYSA-N" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "399.95700" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "399.20774" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12" xsd:string [Term] id: CHEBI:88184 @@ -16449,11 +12840,6 @@ subset: 3_STAR synonym: "an aromatic carboxylate" RELATED [UniProt] is_a: CHEBI:29067 ! carboxylic acid anion relationship: is_conjugate_base_of CHEBI:33859 ! aromatic carboxylic acid -property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/formula "CO2R" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/mass "44.010" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "43.98983" xsd:string -property_value: http://purl.obolibrary.org/obo/chebi/smiles "*C([O-])=O" xsd:string [Term] id: FBcv:0000000 @@ -19876,77 +16262,91 @@ is_a: FBcv:0000452 ! origin of mutation [Term] id: FBcv:0000456 -name: in vitro construct - regulatory fusion +name: obsolete in vitro construct - regulatory fusion namespace: origin_of_mutation def: "Sequence change introduced by using an in vitro construct that contains a fusion of the regulatory region of one gene on to the coding region of another. Examples in FlyBase include heat shock constructs, FRT flip out constructs and reporter genes." [FBC:DOS] -comment: Notes on usage: Use this, rather than 'in vitro construct - deletion', for families of promoter deletions. Thus, a family of deletions of eve promoters driving Ecol\\\\lacZ will have regulatory fusion, but not deletion, as their mutagen. +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'regulatory fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - regulatory fusion" EXACT [] synonym: "in vitro construct | regulatory fusion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000457 -name: in vitro construct - coding region fusion +name: obsolete in vitro construct - coding region fusion namespace: origin_of_mutation def: "Sequence change introduced by using an in vitro construct that contains a in-frame fusion of the open reading frames from two or more genes. In FlyBase, the resulting genes may be classified as fusion genes or tagged genes." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'coding region fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - coding region fusion" EXACT [] synonym: "in vitro construct | coding region fusion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000458 -name: in vitro construct - site directed mutagenesis +name: obsolete in vitro construct - site directed mutagenesis namespace: origin_of_mutation def: "Mutation induced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'site directed mutagenesis') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "in vitro construct | site directed mutagenesis" RELATED [] synonym: "mutation induced by an in vitro construct - site directed mutagenesis" EXACT [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000459 -name: in vitro construct - deletion +name: obsolete in vitro construct - deletion namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct generated by internal deletion of some genomic sequence or cDNA." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'deletion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - deletion" EXACT [] synonym: "in vitro construct | deletion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000460 -name: in vitro construct - genomic fragment +name: obsolete in vitro construct - genomic fragment namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct containing a genomic fragment that partially or fully rescues loss of function mutations or deletions of the gene whose sequence it carries." [FBC:DOS] -comment: Notes on usage: 1. This term is applicable whether or not rescue using the construct is complete. 2. When a smaller rescue fragment is derived from a larger, by deletion of one or both ends, the mutagen shall be 'in vitro construct | deletion', with the larger being stated as the progenitor allele. +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'genomic fragment') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - genomic fragment" EXACT [] synonym: "in vitro construct | genomic fragment" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000461 -name: in vitro construct - minigene +name: obsolete in vitro construct - minigene namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct that contains the wild-type open reading frame of a gene (without introns), the expression of which is controlled by a wild-type promoter of the same gene. Such constructs are often generated by fusing a cDNA to a genomic region containing promoter sequences, or more rarely by deletion of introns and other non-essential sequences from a genomic region, leaving a wild type coding region and promoter intact." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'minigene') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - minigene" EXACT [] synonym: "in vitro construct | minigene" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000462 -name: in vitro construct - amino acid replacement +name: obsolete in vitro construct - amino acid replacement namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene resulting in a change to the change to the amino acids sequence encodes.." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'amino acid replacement') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - amino acid replacement" EXACT [] synonym: "in vitro construct | amino acid replacement" RELATED [] -is_a: FBcv:0000458 ! in vitro construct - site directed mutagenesis +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000463 -name: in vitro construct - RNAi +name: obsolete in vitro construct - RNAi namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct designed to generate dsRNA for RNA interference (RNAi) experiments." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'RNAi') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - RNAi" EXACT [] synonym: "in vitro construct | RNAi" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000464 @@ -26040,19 +22440,21 @@ property_value: http://purl.org/dc/terms/date "2017-06-28T11:41:27Z" xsd:dateTim [Term] id: FBcv:0005042 -name: gene product degradation tag +name: degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation." [FBC:GM] -is_a: FBcv:0005001 ! experimental tool descriptor +synonym: "gene product degradation tag" EXACT [] +is_a: FBcv:0007068 ! gene product degradation tool property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-0027-0858 property_value: http://purl.org/dc/terms/date "2017-06-28T11:41:27Z" xsd:dateTime [Term] id: FBcv:0005043 -name: cell cycle-regulated gene product degradation tag +name: cell cycle-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by the cell cycle." [FBC:GM] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "cell cycle-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-0027-0858 property_value: http://purl.org/dc/terms/date "2017-06-28T11:41:27Z" xsd:dateTime @@ -26424,11 +22826,12 @@ property_value: http://purl.org/dc/terms/date "2017-12-13T13:17:30Z" xsd:dateTim [Term] id: FBcv:0005083 -name: small molecule-regulated gene product degradation tag +name: small molecule-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by a small molecule." [FBC:GM] synonym: "small molecule-dependent gene product degradation tag" EXACT [] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "small molecule-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-0027-0858 property_value: http://purl.org/dc/terms/date "2017-12-22T13:09:10Z" xsd:dateTime @@ -26811,6 +23214,15 @@ is_a: FBcv:0007030 ! conditional specific binding tool property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-1373-1705 property_value: http://purl.org/dc/terms/date "2019-06-26T08:14:35Z" xsd:dateTime +[Term] +id: FBcv:0007034 +name: signaling pathway group +namespace: group_descriptor +def: "Genes whose products act in a specified signal transduction pathway." [FBC:SM] +is_a: FBcv:0003017 ! pathway group +property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-1373-1705 +property_value: http://purl.org/dc/terms/date "2024-03-15T11:24:40Z" xsd:dateTime + [Term] id: FBcv:0007035 name: meganuclease @@ -26933,10 +23345,11 @@ property_value: http://purl.org/dc/terms/date "2020-02-04T09:12:14Z" xsd:dateTim [Term] id: FBcv:0007047 -name: light-regulated gene product degradation tag +name: light-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by irradiation with a pulse of light." [FBC:GM] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "light-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-1373-1705 property_value: http://purl.org/dc/terms/date "2020-12-10T13:05:28Z" xsd:dateTime @@ -27109,6 +23522,44 @@ is_a: FBcv:0005064 ! binary expression system - conditional driver property_value: http://purl.org/dc/terms/contributor http://orcid.org/0000-0002-1373-1705 property_value: http://purl.org/dc/terms/date "2023-01-18T11:52:12Z" xsd:dateTime +[Term] +id: FBcv:0007065 +name: metabolic pathway group +namespace: group_descriptor +def: "Genes whose products act in a specified metabolic pathway." [FBC:SM] +is_a: FBcv:0003017 ! pathway group +property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-1373-1705 +property_value: http://purl.org/dc/terms/date "2024-03-15T11:25:37Z" xsd:dateTime + +[Term] +id: FBcv:0007066 +name: chemical labeling reporter +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in covalent tagging of the protein product with a small molecule whose properties (typically fluorescence) can be used to detect the presence of that protein product." [FBC:GM] +subset: common_tool_use +is_a: FBcv:0005005 ! reporter enzyme +property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-1373-1705 +property_value: http://purl.org/dc/terms/date "2024-04-12T10:15:59Z" xsd:dateTime + +[Term] +id: FBcv:0007067 +name: bioluminescence reporter +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in bioluminescence, which can be used to detect the presence of that protein product." [FBC:GM] +is_a: FBcv:0005005 ! reporter enzyme +property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-1373-1705 +property_value: http://purl.org/dc/terms/date "2024-04-12T10:18:38Z" xsd:dateTime + +[Term] +id: FBcv:0007068 +name: gene product degradation tool +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and which can be used to target a gene product for degradation in a defined manner." [FBC:GM] +comment: Degradation tool may or may not be fused directly to the degradation target. +is_a: FBcv:0005001 ! experimental tool descriptor +property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-1373-1705 +property_value: http://purl.org/dc/terms/date "2024-04-16T15:24:59Z" xsd:dateTime + [Term] id: FBcv:0007500 name: abnormal anesthesia-resistant memory @@ -27832,10 +24283,11 @@ property_value: http://purl.org/dc/terms/date "2022-02-17T14:12:00Z" xsd:dateTim [Term] id: FBcv:0009016 -name: conditional gene product degradation tag +name: conditional degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated in response to a particular stimulus." [FBC:GM] -is_a: FBcv:0005042 ! gene product degradation tag +synonym: "conditional gene product degradation tag" EXACT [] +is_a: FBcv:0005042 ! degradation tag property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-6095-8718 property_value: http://purl.org/dc/terms/date "2023-02-23T14:00:00Z" xsd:dateTime @@ -28126,26 +24578,6 @@ subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "is part of" xsd:string -property_value: IAO:0000112 "my brain is part of my body (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)" xsd:string -property_value: IAO:0000112 "this day is part of this year (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)\n\nA continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'." xsd:string -property_value: IAO:0000118 "part_of" xsd:string -property_value: RO:0001900 RO:0001901 -property_value: RO:0040042 BFO:0000002 -property_value: RO:0040042 BFO:0000003 -property_value: RO:0040042 BFO:0000004 -property_value: RO:0040042 BFO:0000017 -property_value: RO:0040042 BFO:0000019 -property_value: RO:0040042 BFO:0000020 -property_value: RO:0040042 BFO:0000031 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Community:Parts_and_Collections -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:PartOf -property_value: seeAlso "http://www.obofoundry.org/ro/#OBO_REL:part_of" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Part_of" xsd:anyURI is_transitive: true is_a: RO:0002131 ! overlaps inverse_of: BFO:0000051 ! has part @@ -28157,15 +24589,6 @@ def: "a core relation that holds between a whole and its part" [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "has part" xsd:string -property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string -property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string -property_value: IAO:0000118 "has_part" xsd:string -property_value: RO:0001900 RO:0001901 is_transitive: true is_a: RO:0002131 ! overlaps @@ -28174,11 +24597,6 @@ id: BFO:0000062 name: preceded by def: "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] subset: ro-eco -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" xsd:string -property_value: IAO:0000111 "preceded by" xsd:string -property_value: IAO:0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other." xsd:string -property_value: IAO:0000118 "is preceded by" xsd:string -property_value: IAO:0000118 "preceded_by" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent holds_over_chain: BFO:0000050 BFO:0000062 @@ -28191,7 +24609,6 @@ id: BFO:0000063 name: precedes def: "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] subset: ro-eco -property_value: IAO:0000111 "precedes" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent holds_over_chain: BFO:0000050 BFO:0000063 @@ -28217,11 +24634,6 @@ id: RO:0000052 name: characteristic of def: "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence." [] comment: Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. -property_value: IAO:0000111 "inheres in" xsd:string -property_value: IAO:0000112 "this fragility is a characteristic of this vase" xsd:string -property_value: IAO:0000112 "this red color is a characteristic of this apple" xsd:string -property_value: IAO:0000118 "inheres_in" xsd:string -property_value: RO:0001900 RO:0001901 is_functional: true is_a: RO:0002314 ! characteristic of part of inverse_of: RO:0000053 ! has characteristic @@ -28230,13 +24642,6 @@ inverse_of: RO:0000053 ! has characteristic id: RO:0000053 name: has characteristic def: "Inverse of characteristic_of" [] -property_value: IAO:0000111 "bearer of" xsd:string -property_value: IAO:0000112 "this apple is bearer of this red color" xsd:string -property_value: IAO:0000112 "this vase is bearer of this fragility" xsd:string -property_value: IAO:0000116 "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "bearer_of" xsd:string -property_value: IAO:0000118 "is bearer of" xsd:string -property_value: RO:0001900 RO:0001901 range: BFO:0000020 ! specifically dependent continuant is_inverse_functional: true @@ -28244,11 +24649,6 @@ is_inverse_functional: true id: RO:0000056 name: participates in def: "a relation between a continuant and a process, in which the continuant is somehow involved in the process" [] -property_value: IAO:0000111 "participates in" xsd:string -property_value: IAO:0000112 "this blood clot participates in this blood coagulation" xsd:string -property_value: IAO:0000112 "this input material (or this output material) participates in this process" xsd:string -property_value: IAO:0000112 "this investigator participates in this investigation" xsd:string -property_value: IAO:0000118 "participates_in" xsd:string domain: BFO:0000002 ! continuant range: BFO:0000003 ! occurrent inverse_of: RO:0000057 ! has participant @@ -28257,13 +24657,6 @@ inverse_of: RO:0000057 ! has participant id: RO:0000057 name: has participant def: "a relation between a process and a continuant, in which the continuant is somehow involved in the process" [] -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:has_participant" xsd:string -property_value: IAO:0000111 "has participant" xsd:string -property_value: IAO:0000112 "this blood coagulation has participant this blood clot" xsd:string -property_value: IAO:0000112 "this investigation has participant this investigator" xsd:string -property_value: IAO:0000112 "this process has participant this input material (or this output material)" xsd:string -property_value: IAO:0000116 "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time." xsd:string -property_value: IAO:0000118 "has_participant" xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000002 ! continuant holds_over_chain: BFO:0000051 RO:0000057 @@ -28273,10 +24666,6 @@ id: RO:0000079 name: function of def: "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this catalysis function is a function of this enzyme" xsd:string -property_value: IAO:0000116 "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "function_of" xsd:string -property_value: IAO:0000118 "is function of" xsd:string domain: BFO:0000034 ! function is_a: RO:0000052 ! characteristic of inverse_of: RO:0000085 ! has function @@ -28286,10 +24675,6 @@ id: RO:0000080 name: quality of def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string -property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string -property_value: IAO:0000118 "is quality of" xsd:string -property_value: IAO:0000118 "quality_of" xsd:string is_a: RO:0000052 ! characteristic of inverse_of: RO:0000086 ! has quality @@ -28298,10 +24683,6 @@ id: RO:0000081 name: role of def: "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence" [] comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this investigator role is a role of this person" xsd:string -property_value: IAO:0000116 "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "is role of" xsd:string -property_value: IAO:0000118 "role_of" xsd:string is_a: RO:0000052 ! characteristic of inverse_of: RO:0000087 ! has role @@ -28309,9 +24690,6 @@ inverse_of: RO:0000087 ! has role id: RO:0000085 name: has function def: "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)" xsd:string -property_value: IAO:0000116 "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "has_function" xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000034 ! function is_a: RO:0000053 ! has characteristic @@ -28320,9 +24698,6 @@ is_a: RO:0000053 ! has characteristic id: RO:0000086 name: has quality def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this apple has quality this red color" xsd:string -property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "has_quality" xsd:string range: BFO:0000019 ! quality is_a: RO:0000053 ! has characteristic @@ -28330,9 +24705,6 @@ is_a: RO:0000053 ! has characteristic id: RO:0000087 name: has role def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string -property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "has_role" xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000023 ! role is_a: RO:0000053 ! has characteristic @@ -28360,8 +24732,6 @@ name: has regulatory component activity def: "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." [] is_a: RO:0002017 ! has component activity is_a: RO:0002334 ! regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:30:46Z [Typedef] id: RO:0002014 @@ -28370,8 +24740,6 @@ def: "A relationship that holds between a GO molecular function and a component comment: By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. is_a: RO:0002013 ! has regulatory component activity is_a: RO:0002335 ! negatively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:01Z [Typedef] id: RO:0002015 @@ -28380,16 +24748,12 @@ def: "A relationship that holds between a GO molecular function and a component comment: By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. is_a: RO:0002013 ! has regulatory component activity is_a: RO:0002336 ! positively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:17Z [Typedef] id: RO:0002017 name: has component activity comment: A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. is_a: RO:0002018 ! has component process -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:44:33Z [Typedef] id: RO:0002018 @@ -28398,8 +24762,6 @@ def: "w 'has process component' p if p and w are processes, w 'has part' p and domain: BFO:0000015 ! process range: BFO:0000015 ! process is_a: RO:0002180 ! has component -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:49:21Z [Typedef] id: RO:0002022 @@ -28407,8 +24769,6 @@ name: directly regulated by comment: Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. {xref="https://orcid.org/0000-0002-7073-9172"} is_a: RO:0002334 ! regulated by inverse_of: RO:0002578 ! directly regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:24Z [Typedef] id: RO:0002023 @@ -28416,8 +24776,6 @@ name: directly negatively regulated by def: "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." [https://orcid.org/0000-0002-7073-9172] is_a: RO:0002022 ! directly regulated by inverse_of: RO:0002630 ! directly negatively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:38Z [Typedef] id: RO:0002024 @@ -28425,8 +24783,6 @@ name: directly positively regulated by def: "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." [https://orcid.org/0000-0002-7073-9172] is_a: RO:0002022 ! directly regulated by inverse_of: RO:0002629 ! directly positively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:47Z [Typedef] id: RO:0002025 @@ -28435,16 +24791,12 @@ def: "A 'has effector activity' B if A and B are GO molecular functions (GO_0003 comment: This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. is_functional: true is_a: RO:0002017 ! has component activity -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-22T14:14:36Z [Typedef] id: RO:0002081 name: before or simultaneous with comment: Primitive instance level timing relation between events subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000118 "<=" xsd:string is_a: RO:0002222 ! temporally related to [Typedef] @@ -28452,7 +24804,6 @@ id: RO:0002083 name: before comment: t1 before t2 iff:= t1 before_or_simulataneous_with t2 and not (t1 simultaeous_with t2) subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string is_transitive: true is_a: RO:0002081 ! before or simultaneous with @@ -28461,7 +24812,6 @@ id: RO:0002086 name: ends after comment: X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string is_transitive: true is_a: RO:0002222 ! temporally related to @@ -28469,8 +24819,6 @@ is_a: RO:0002222 ! temporally related to id: RO:0002087 name: immediately preceded by comment: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000118 "starts_at_end_of" xsd:string is_a: BFO:0000062 ! preceded by inverse_of: RO:0002090 ! immediately precedes @@ -28479,11 +24827,6 @@ id: RO:0002090 name: immediately precedes comment: X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-7073-9172 -property_value: IAO:0000118 "ends_at_start_of" xsd:string -property_value: IAO:0000118 "meets" xsd:string -property_value: RO:0002575 BFO:0000063 is_a: BFO:0000063 ! precedes [Typedef] @@ -28493,26 +24836,18 @@ def: "x overlaps y if and only if there exists some z such that x has part z and subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: RO:0001900 RO:0001901 holds_over_chain: BFO:0000050 BFO:0000050 holds_over_chain: BFO:0000051 BFO:0000050 {RO:0002582="true"} holds_over_chain: BFO:0000051 RO:0002131 is_symmetric: true is_a: RO:0002323 ! mereotopologically related to transitive_over: BFO:0000050 ! part of -expand_expression_to: "http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)" [] [Typedef] id: RO:0002180 name: has component def: "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." xsd:string -property_value: IAO:0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit." xsd:string -property_value: RO:0001900 RO:0001901 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:Componency is_a: BFO:0000051 ! has part [Typedef] @@ -28520,11 +24855,6 @@ id: RO:0002202 name: develops from def: "x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y" [] comment: This is the transitive form of the develops from relation -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0001-9114-8737 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0002-7073-9172 -property_value: IAO:0000117 https://orcid.org/0000-0003-1980-3228 domain: BFO:0000004 ! independent continuant range: BFO:0000004 ! independent continuant is_transitive: true @@ -28537,10 +24867,6 @@ id: RO:0002203 name: develops into def: "inverse of develops from" [] subset: RO:0002259 -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0002-7073-9172 -property_value: IAO:0000117 https://orcid.org/0000-0003-1980-3228 is_transitive: true is_a: RO:0002286 ! developmentally succeeded by is_a: RO:0002387 ! has potential to develop into @@ -28553,14 +24879,6 @@ def: "p regulates q iff p is causally upstream of q, the execution of p is not c subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0001-7476-6306 -property_value: IAO:0000117 https://orcid.org/0000-0002-3837-8864 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 "GO" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." xsd:string -property_value: IAO:0000589 "regulates (processual)" xsd:string -property_value: IAO:0000600 "false" xsd:boolean domain: BFO:0000015 ! process range: BFO:0000015 ! process holds_over_chain: RO:0002578 RO:0002578 @@ -28576,10 +24894,6 @@ def: "p negatively regulates q iff p regulates q, and p decreases the rate or ma subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002211 is_a: RO:0002211 ! regulates is_a: RO:0002305 ! causally upstream of, negative effect inverse_of: RO:0002335 ! negatively regulated by @@ -28591,10 +24905,6 @@ def: "p positively regulates q iff p regulates q, and p increases the rate or ma subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002211 holds_over_chain: RO:0002212 RO:0002212 is_transitive: true is_a: RO:0002211 ! regulates @@ -28606,13 +24916,6 @@ id: RO:0002215 name: capable of def: "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " [] subset: ro-eco -property_value: IAO:0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" xsd:string -property_value: IAO:0000112 "osteoclast SubClassOf 'capable of' some 'bone resorption'" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function realized in" xsd:string -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20123131 -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/21208450 -property_value: IAO:0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." xsd:string domain: BFO:0000004 ! independent continuant range: BFO:0000015 ! process is_a: RO:0002216 ! capable of part of @@ -28621,9 +24924,6 @@ is_a: RO:0002216 ! capable of part of id: RO:0002216 name: capable of part of def: "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function in" xsd:string -property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ holds_over_chain: RO:0002215 BFO:0000050 {RO:0002582="true"} is_a: RO:0002328 ! functionally related to is_a: RO:0002500 ! causal agent in process @@ -28633,11 +24933,6 @@ id: RO:0002222 name: temporally related to comment: A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. subset: ro-eco -property_value: http://purl.org/dc/terms/source "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1" xsd:anyURI -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 https://en.wikipedia.org/wiki/Allen%27s_interval_algebra -property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent @@ -28649,10 +24944,6 @@ subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "consumes" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Has_input" xsd:anyURI domain: BFO:0000015 ! process is_a: RO:0000057 ! has participant inverse_of: RO:0002352 ! input of @@ -28661,9 +24952,6 @@ inverse_of: RO:0002352 ! input of id: RO:0002254 name: has developmental contribution from def: "x has developmental contribution from y iff x has some part z such that z develops from y" [] -property_value: IAO:0000112 "Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong]" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 domain: UBERON:0001062 range: UBERON:0001062 holds_over_chain: BFO:0000051 RO:0002202 @@ -28675,8 +24963,6 @@ id: RO:0002255 name: developmentally contributes to def: "inverse of has developmental contribution from" [] subset: RO:0002259 -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 holds_over_chain: RO:0002203 BFO:0000050 is_a: RO:0002286 ! developmentally succeeded by is_a: RO:0002385 ! has potential to developmentally contribute to @@ -28686,10 +24972,6 @@ id: RO:0002258 name: developmentally preceded by def: "Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p" [] comment: This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "false" xsd:boolean -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "In general you should not use this relation to make assertions - use one of the more specific relations below this one" xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: RO:0002324 ! developmentally related to @@ -28700,8 +24982,6 @@ id: RO:0002263 name: acts upstream of def: "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: IAO:0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." xsd:string -property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of holds_over_chain: RO:0002327 RO:0002411 is_a: RO:0002264 ! acts upstream of or within @@ -28711,8 +24991,6 @@ name: acts upstream of or within def: "c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term synonym: "affects" RELATED [] -property_value: IAO:0000112 "A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway." xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within" xsd:anyURI holds_over_chain: RO:0002327 RO:0002418 is_a: RO:0002500 ! causal agent in process @@ -28720,8 +24998,6 @@ is_a: RO:0002500 ! causal agent in process id: RO:0002286 name: developmentally succeeded by def: "Inverse of developmentally preceded by" [] -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002384 ! has developmental potential involving [Typedef] @@ -28731,9 +25007,6 @@ def: "p is causally upstream of, positive effect q iff p is casually upstream of comment: holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: http://purl.org/dc/terms/creator https://orcid.org/0000-0002-6601-2165 -property_value: RO:0004049 RO:0002411 -property_value: seeAlso https://wiki.geneontology.org/Causally_upstream_of,_positive_effect is_a: RO:0002411 ! causally upstream of is_a: RO:0004047 ! causally upstream of or within, positive effect @@ -28743,9 +25016,6 @@ name: causally upstream of, negative effect def: "p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: http://purl.org/dc/terms/creator https://orcid.org/0000-0002-6601-2165 -property_value: RO:0004050 RO:0002411 -property_value: seeAlso https://wiki.geneontology.org/Causally_upstream_of,_negative_effect is_a: RO:0002411 ! causally upstream of is_a: RO:0004046 ! causally upstream of or within, negative effect @@ -28753,12 +25023,6 @@ is_a: RO:0004046 ! causally upstream of or within, negative effect id: RO:0002314 name: characteristic of part of def: "q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w." [] -property_value: IAO:0000116 "Because part_of is transitive, inheres in is a sub-relation of characteristic of part of" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "inheres in part of" xsd:string -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20064205 -property_value: RO:0001900 RO:0001901 -property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ holds_over_chain: RO:0000052 BFO:0000050 {RO:0002582="true"} is_a: RO:0002502 ! depends on transitive_over: BFO:0000050 ! part of @@ -28767,31 +25031,17 @@ transitive_over: BFO:0000050 ! part of id: RO:0002323 name: mereotopologically related to def: "A mereological relationship or a topological relationship" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships" xsd:string -property_value: RO:0001900 RO:0001901 [Typedef] id: RO:0002324 name: developmentally related to def: "A relationship that holds between entities participating in some developmental process (GO:0032502)" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development" xsd:string [Typedef] id: RO:0002327 name: enables def: "c enables p iff c is capable of p and c acts to execute p." [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: IAO:0000112 "a particular instances of akt-2 enables some instance of protein kinase activity" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "catalyzes" xsd:string -property_value: IAO:0000118 "executes" xsd:string -property_value: IAO:0000118 "has" xsd:string -property_value: IAO:0000118 "is catalyzing" xsd:string -property_value: IAO:0000118 "is executing" xsd:string -property_value: IAO:0000232 "This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized." xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Enables" xsd:anyURI is_a: RO:0002215 ! capable of inverse_of: RO:0002333 ! enabled by transitive_over: BFO:0000051 ! has part @@ -28801,26 +25051,17 @@ transitive_over: RO:0002017 ! has component activity id: RO:0002328 name: functionally related to def: "A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "This is a grouping relation that collects relations used for the purpose of connecting structure and function" xsd:string [Typedef] id: RO:0002329 name: part of structure that is capable of def: "this relation holds between c and p when c is part of some c', and c' is capable of p." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "false" xsd:boolean -holds_over_chain: BFO:0000050 RO:0002215 {RO:0002581="true"} is_a: RO:0002328 ! functionally related to [Typedef] id: RO:0002331 name: involved in def: "c involved_in p if and only if c enables some process p', and p' is part of p" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "actively involved in" xsd:string -property_value: IAO:0000118 "enables part of" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Involved_in" xsd:anyURI holds_over_chain: RO:0002327 BFO:0000050 is_a: RO:0000056 ! participates in is_a: RO:0002431 ! involved in or involved in regulation of @@ -28831,8 +25072,6 @@ id: RO:0002333 name: enabled by def: "inverse of enables" [] subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: seeAlso "https://wiki.geneontology.org/Enabled_by" xsd:anyURI is_a: RO:0000057 ! has participant is_a: RO:0002328 ! functionally related to @@ -28841,8 +25080,6 @@ id: RO:0002334 name: regulated by def: "inverse of regulates" [] subset: RO:0002259 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000589 "regulated by (processual)" xsd:string domain: BFO:0000015 ! process range: BFO:0000015 ! process is_transitive: true @@ -28853,7 +25090,6 @@ id: RO:0002335 name: negatively regulated by def: "inverse of negatively regulates" [] subset: RO:0002259 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002334 ! regulated by [Typedef] @@ -28861,18 +25097,12 @@ id: RO:0002336 name: positively regulated by def: "inverse of positively regulates" [] subset: RO:0002259 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002334 ! regulated by [Typedef] id: RO:0002350 name: member of def: "is member of is a mereological relation between a item and a collection." [] -property_value: IAO:0000112 "An organism that is a member of a population of organisms" xsd:string -property_value: IAO:0000118 "is member of" xsd:string -property_value: IAO:0000118 "member part of" xsd:string -property_value: IAO:0000119 "SIO" xsd:string -property_value: RO:0001900 RO:0001901 is_a: BFO:0000050 ! part of inverse_of: RO:0002351 ! has member @@ -28880,8 +25110,6 @@ inverse_of: RO:0002351 ! has member id: RO:0002351 name: has member def: "has member is a mereological relation between a collection and an item." [] -property_value: IAO:0000119 "SIO" xsd:string -property_value: RO:0001900 RO:0001901 is_a: BFO:0000051 ! has part [Typedef] @@ -28890,7 +25118,6 @@ name: input of def: "inverse of has input" [] subset: ro-eco subset: RO:0002259 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0000056 ! participates in is_a: RO:0002328 ! functionally related to @@ -28898,8 +25125,6 @@ is_a: RO:0002328 ! functionally related to id: RO:0002384 name: has developmental potential involving def: "x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction)." [] -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 domain: UBERON:0001062 range: UBERON:0001062 is_a: RO:0002324 ! developmentally related to @@ -28908,32 +25133,24 @@ is_a: RO:0002324 ! developmentally related to id: RO:0002385 name: has potential to developmentally contribute to def: "x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y" [] -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002384 ! has developmental potential involving [Typedef] id: RO:0002387 name: has potential to develop into def: "x has the potential to develop into y iff x develops into y or if x is capable of developing into y" [] -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002384 ! has developmental potential involving [Typedef] id: RO:0002388 name: has potential to directly develop into def: "x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y" [] -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002387 ! has potential to develop into [Typedef] id: RO:0002404 name: causally downstream of def: "inverse of upstream of" [] -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: BFO:0000062 ! preceded by is_a: RO:0002427 ! causally downstream of or within inverse_of: RO:0002411 ! causally upstream of @@ -28941,8 +25158,6 @@ inverse_of: RO:0002411 ! causally upstream of [Typedef] id: RO:0002405 name: immediately causally downstream of -property_value: IAO:0000114 IAO:0000428 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_a: RO:0002087 ! immediately preceded by is_a: RO:0002404 ! causally downstream of inverse_of: RO:0002412 ! immediately causally upstream of @@ -28951,10 +25166,6 @@ inverse_of: RO:0002412 ! immediately causally upstream of id: RO:0002407 name: indirectly positively regulates def: "p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "indirectly activates" xsd:string -property_value: RO:0002579 RO:0002213 -property_value: seeAlso "https://wiki.geneontology.org/Indirectly_positively_regulates" xsd:anyURI holds_over_chain: RO:0002409 RO:0002409 holds_over_chain: RO:0002629 RO:0002407 holds_over_chain: RO:0002629 RO:0002629 @@ -28967,10 +25178,6 @@ transitive_over: RO:0002629 ! directly positively regulates id: RO:0002409 name: indirectly negatively regulates def: "p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "indirectly inhibits" xsd:string -property_value: RO:0002579 RO:0002212 -property_value: seeAlso "https://wiki.geneontology.org/Indirectly_negatively_regulates" xsd:anyURI holds_over_chain: RO:0002630 RO:0002409 holds_over_chain: RO:0002630 RO:0002630 is_transitive: true @@ -28982,9 +25189,6 @@ transitive_over: RO:0002630 ! directly negatively regulates id: RO:0002410 name: causally related to def: "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." [https://en.wikipedia.org/wiki/Causality] -property_value: IAO:0000116 "This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.\n\nTo define causal relations in an activity-flow type network, we make use of 3 primitives:\n\n * Temporal: how do the intervals of the two occurrents relate? \n * Is the causal relation regulatory?\n * Is the influence positive or negative?\n\nThe first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.\n\nFor the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.\n\nFor the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.\n\nEach of these 3 primitives can be composed to yield a cross-product of different relation types." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string [Typedef] id: RO:0002411 @@ -28992,7 +25196,6 @@ name: causally upstream of def: "p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q." [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 is_transitive: true is_a: BFO:0000063 ! precedes is_a: RO:0002418 ! causally upstream of or within @@ -29001,8 +25204,6 @@ is_a: RO:0002418 ! causally upstream of or within id: RO:0002412 name: immediately causally upstream of def: "p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: RO:0002575 RO:0002411 is_a: RO:0002090 ! immediately precedes is_a: RO:0002411 ! causally upstream of @@ -29011,9 +25212,6 @@ id: RO:0002418 name: causally upstream of or within def: "p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q." [] synonym: "affects" RELATED [] -property_value: IAO:0000116 "We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "influences (processual)" xsd:string is_transitive: true is_a: RO:0002501 ! causal relation between processes inverse_of: RO:0002427 ! causally downstream of or within @@ -29023,8 +25221,6 @@ id: RO:0002427 name: causally downstream of or within def: "inverse of causally upstream of or within" [] subset: RO:0002259 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_transitive: true is_a: RO:0002501 ! causal relation between processes @@ -29032,7 +25228,6 @@ is_a: RO:0002501 ! causal relation between processes id: RO:0002428 name: involved in regulation of def: "c involved in regulation of p if c is involved in some p' and p' regulates some p" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 holds_over_chain: RO:0002327 RO:0002211 holds_over_chain: RO:0002331 RO:0002211 is_a: RO:0002263 ! acts upstream of @@ -29042,8 +25237,6 @@ is_a: RO:0002431 ! involved in or involved in regulation of id: RO:0002429 name: involved in positive regulation of def: "c involved in regulation of p if c is involved in some p' and p' positively regulates some p" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: RO:0004049 RO:0002428 holds_over_chain: RO:0002327 RO:0002213 holds_over_chain: RO:0002331 RO:0002213 is_a: RO:0002428 ! involved in regulation of @@ -29052,8 +25245,6 @@ is_a: RO:0002428 ! involved in regulation of id: RO:0002430 name: involved in negative regulation of def: "c involved in regulation of p if c is involved in some p' and p' negatively regulates some p" [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: RO:0004050 RO:0002428 holds_over_chain: RO:0002327 RO:0002212 holds_over_chain: RO:0002331 RO:0002212 is_a: RO:0002428 ! involved in regulation of @@ -29062,9 +25253,6 @@ is_a: RO:0002428 ! involved in regulation of id: RO:0002431 name: involved in or involved in regulation of def: "c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p" [] -property_value: IAO:0000116 "OWL does not allow defining object properties via a Union" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "involved in or reguates" xsd:string is_a: RO:0002264 ! acts upstream of or within is_a: RO:0002328 ! functionally related to is_a: RO:0002500 ! causal agent in process @@ -29075,12 +25263,6 @@ name: interacts with def: "A relationship that holds between two entities in which the processes executed by the two entities are causally connected." [] subset: ro-eco synonym: "in pairwise interaction with" EXACT [] -property_value: closeMatch "http://purl.obolibrary.org/obo/MI_0914" xsd:anyURI -property_value: IAO:0000116 "Considering relabeling as 'pairwise interacts with'" xsd:anyURI -property_value: IAO:0000116 "This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000232 "Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules." xsd:string -property_value: seeAlso "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/" xsd:anyURI domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_symmetric: true @@ -29089,11 +25271,6 @@ is_symmetric: true id: RO:0002436 name: molecularly interacts with def: "An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other." [] -property_value: closeMatch "http://purl.obolibrary.org/obo/MI_0915" xsd:anyURI -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "binds" xsd:string -property_value: IAO:0000118 "molecularly binds with" xsd:string -property_value: seeAlso ECO:0000353 is_symmetric: true is_a: RO:0002434 ! interacts with @@ -29102,8 +25279,6 @@ id: RO:0002448 name: directly regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B.\n\nA and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B." [] synonym: "molecularly controls" EXACT [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: RO:0002436 ! molecularly interacts with @@ -29114,9 +25289,6 @@ id: RO:0002449 name: directly negatively regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. \nFor example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B." [] synonym: "molecularly decreases activity of" EXACT [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 -property_value: IAO:0000118 "directly inhibits" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: RO:0002448 ! directly regulates activity of @@ -29126,9 +25298,6 @@ id: RO:0002450 name: directly positively regulates activity of def: "The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. \nFor example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B." [] synonym: "molecularly increases activity of" EXACT [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 -property_value: IAO:0000118 "directly activates" xsd:string domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: RO:0002448 ! directly regulates activity of @@ -29137,7 +25306,6 @@ is_a: RO:0002448 ! directly regulates activity of id: RO:0002500 name: causal agent in process def: "A relationship between a material entity and a process where the material entity has some causal role that influences the process" [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_a: RO:0002595 ! causal relation between material entity and a process inverse_of: RO:0002608 ! process has causal agent @@ -29145,9 +25313,6 @@ inverse_of: RO:0002608 ! process has causal agent id: RO:0002501 name: causal relation between processes def: "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string domain: BFO:0000003 ! occurrent range: BFO:0000003 ! occurrent is_a: RO:0002410 ! causally related to @@ -29155,25 +25320,16 @@ is_a: RO:0002410 ! causally related to [Typedef] id: RO:0002502 name: depends on -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: seeAlso BFO:0000169 [Typedef] id: RO:0002503 name: towards def: "q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2" [] -property_value: IAO:0000116 "This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20064205 is_a: RO:0002502 ! depends on [Typedef] id: RO:0002506 name: causal relation between entities -property_value: IAO:0000116 "The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: RO:0002410 ! causally related to @@ -29181,9 +25337,6 @@ is_a: RO:0002410 ! causally related to [Typedef] id: RO:0002559 name: causally influenced by -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "causally influenced by (entity-centric)" xsd:string is_a: RO:0002506 ! causal relation between entities inverse_of: RO:0002566 ! causally influences @@ -29191,10 +25344,6 @@ inverse_of: RO:0002566 ! causally influences id: RO:0002566 name: causally influences def: "The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size)." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "causally influences (entity-centric)" xsd:string domain: BFO:0000002 ! continuant range: BFO:0000002 ! continuant is_a: RO:0002506 ! causal relation between entities @@ -29204,9 +25353,6 @@ id: RO:0002573 name: has modifier def: "A relation that holds between an attribute or a qualifier and another attribute." [] subset: ro-eco -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20064205 -property_value: IAO:0000232 "This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the \"modifiers\" are." xsd:string domain: BFO:0000020 ! specifically dependent continuant range: BFO:0000020 ! specifically dependent continuant @@ -29217,10 +25363,6 @@ def: "p directly regulates q iff p is immediately causally upstream of q and p r subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly regulates (processual)" xsd:string -property_value: RO:0002575 RO:0002211 is_a: RO:0002211 ! regulates is_a: RO:0002412 ! immediately causally upstream of @@ -29228,8 +25370,6 @@ is_a: RO:0002412 ! immediately causally upstream of id: RO:0002584 name: has part structure that is capable of def: "s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p" [] -property_value: IAO:0000112 "gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 holds_over_chain: BFO:0000051 RO:0002215 is_a: RO:0002328 ! functionally related to is_a: RO:0002595 ! causal relation between material entity and a process @@ -29238,9 +25378,6 @@ is_a: RO:0002595 ! causal relation between material entity and a process id: RO:0002595 name: causal relation between material entity and a process def: "A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity." [] -property_value: IAO:0000116 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations domain: BFO:0000040 ! material entity range: BFO:0000015 ! process is_a: RO:0002410 ! causally related to @@ -29249,8 +25386,6 @@ is_a: RO:0002410 ! causally related to id: RO:0002596 name: capable of regulating def: "Holds between c and p if and only if c is capable of some activity a, and a regulates p." [] -property_value: IAO:0000112 "pyrethroid -> growth" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: RO:0002215 RO:0002211 is_a: RO:0002500 ! causal agent in process @@ -29258,7 +25393,6 @@ is_a: RO:0002500 ! causal agent in process id: RO:0002597 name: capable of negatively regulating def: "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: RO:0002215 RO:0002212 is_a: RO:0002596 ! capable of regulating @@ -29266,8 +25400,6 @@ is_a: RO:0002596 ! capable of regulating id: RO:0002598 name: capable of positively regulating def: "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." [] -property_value: IAO:0000112 "renin -> arteriolar smooth muscle contraction" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations holds_over_chain: RO:0002215 RO:0002213 is_a: RO:0002596 ! capable of regulating @@ -29275,7 +25407,6 @@ is_a: RO:0002596 ! capable of regulating id: RO:0002608 name: process has causal agent def: "Inverse of 'causal agent in process'" [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations is_a: RO:0002410 ! causally related to [Typedef] @@ -29285,10 +25416,6 @@ def: "p directly positively regulates q iff p is immediately causally upstream o subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_positively_regulates" xsd:anyURI is_a: RO:0002213 ! positively regulates is_a: RO:0002578 ! directly regulates @@ -29299,10 +25426,6 @@ def: "p directly negatively regulates q iff p is immediately causally upstream o subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates" xsd:anyURI is_a: RO:0002212 ! negatively regulates is_a: RO:0002578 ! directly regulates @@ -29312,80 +25435,53 @@ name: enables subfunction def: "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." [] holds_over_chain: RO:0002327 BFO:0000051 is_a: RO:0002328 ! functionally related to -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-25T23:20:13Z [Typedef] id: RO:0004032 name: acts upstream of or within, positive effect subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect" xsd:anyURI holds_over_chain: RO:0002327 RO:0004047 is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:30Z [Typedef] id: RO:0004033 name: acts upstream of or within, negative effect subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect" xsd:anyURI holds_over_chain: RO:0002327 RO:0004046 is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:51Z [Typedef] id: RO:0004034 name: acts upstream of, positive effect def: "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect" xsd:anyURI holds_over_chain: RO:0002327 RO:0002304 is_a: RO:0002263 ! acts upstream of is_a: RO:0004032 ! acts upstream of or within, positive effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:14Z [Typedef] id: RO:0004035 name: acts upstream of, negative effect def: "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" [] subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect" xsd:anyURI holds_over_chain: RO:0002327 RO:0002305 is_a: RO:0002263 ! acts upstream of is_a: RO:0004033 ! acts upstream of or within, negative effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:22Z [Typedef] id: RO:0004046 name: causally upstream of or within, negative effect -property_value: RO:0004050 RO:0002418 -property_value: seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect" xsd:anyURI is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:05Z [Typedef] id: RO:0004047 name: causally upstream of or within, positive effect -property_value: RO:0004049 RO:0002418 -property_value: seeAlso https://wiki.geneontology.org/Causally_upstream_of_or_within,_positive_effect is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:19Z [Typedef] id: RO:0011002 name: regulates activity of def: "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." [] -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 domain: BFO:0000040 ! material entity range: BFO:0000040 ! material entity is_a: RO:0002566 ! causally influences @@ -29395,8 +25491,6 @@ id: RO:0012011 name: indirectly causally upstream of def: "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." [] is_a: RO:0002411 ! causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:07:17Z [Typedef] id: RO:0012012 @@ -29404,21 +25498,13 @@ name: indirectly regulates def: "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." [] is_a: RO:0002211 ! regulates is_a: RO:0012011 ! indirectly causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:08:01Z [Typedef] id: RO:0017001 name: device utilizes material def: "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." [] synonym: "utilizes" BROAD [] -property_value: IAO:0000112 "A diagnostic testing device utilizes a specimen." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0001-9625-1899 -property_value: IAO:0000117 https://orcid.org/0000-0003-2620-0345 -property_value: IAO:0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." xsd:string -property_value: IAO:0000232 "See github ticket https://github.com/oborel/obo-relations/issues/497" xsd:string holds_over_chain: RO:0002215 RO:0002233 -creation_date: 2021-11-08T12:00:00Z [Typedef] id: RO:0019000 diff --git a/flybase_controlled_vocabulary.obo b/flybase_controlled_vocabulary.obo index 0ecc7dd..ffc80c2 100644 --- a/flybase_controlled_vocabulary.obo +++ b/flybase_controlled_vocabulary.obo @@ -1,7 +1,7 @@ format-version: 1.2 -data-version: 2024-02-23 -date: 23:02:2024 09:20 +data-version: 2024-04-25 +date: 25:04:2024 15:03 subsetdef: camcur "camcur" subsetdef: common_tool_use "Terms to summarize typical use of a gene from one organism that is introduced into another organism primarily for use an experimental tool, rather than to study the function of the gene" subsetdef: do_not_annotate "Term not to be used for direct annotation" @@ -3430,77 +3430,91 @@ is_a: FBcv:0000452 ! origin of mutation [Term] id: FBcv:0000456 -name: in vitro construct - regulatory fusion +name: obsolete in vitro construct - regulatory fusion namespace: origin_of_mutation def: "Sequence change introduced by using an in vitro construct that contains a fusion of the regulatory region of one gene on to the coding region of another. Examples in FlyBase include heat shock constructs, FRT flip out constructs and reporter genes." [FBC:DOS] -comment: Notes on usage: Use this, rather than 'in vitro construct - deletion', for families of promoter deletions. Thus, a family of deletions of eve promoters driving Ecol\\\\lacZ will have regulatory fusion, but not deletion, as their mutagen. +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'regulatory fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - regulatory fusion" EXACT [] synonym: "in vitro construct | regulatory fusion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000457 -name: in vitro construct - coding region fusion +name: obsolete in vitro construct - coding region fusion namespace: origin_of_mutation def: "Sequence change introduced by using an in vitro construct that contains a in-frame fusion of the open reading frames from two or more genes. In FlyBase, the resulting genes may be classified as fusion genes or tagged genes." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'coding region fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - coding region fusion" EXACT [] synonym: "in vitro construct | coding region fusion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000458 -name: in vitro construct - site directed mutagenesis +name: obsolete in vitro construct - site directed mutagenesis namespace: origin_of_mutation def: "Mutation induced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'site directed mutagenesis') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "in vitro construct | site directed mutagenesis" RELATED [] synonym: "mutation induced by an in vitro construct - site directed mutagenesis" EXACT [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000459 -name: in vitro construct - deletion +name: obsolete in vitro construct - deletion namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct generated by internal deletion of some genomic sequence or cDNA." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'deletion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - deletion" EXACT [] synonym: "in vitro construct | deletion" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000460 -name: in vitro construct - genomic fragment +name: obsolete in vitro construct - genomic fragment namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct containing a genomic fragment that partially or fully rescues loss of function mutations or deletions of the gene whose sequence it carries." [FBC:DOS] -comment: Notes on usage: 1. This term is applicable whether or not rescue using the construct is complete. 2. When a smaller rescue fragment is derived from a larger, by deletion of one or both ends, the mutagen shall be 'in vitro construct | deletion', with the larger being stated as the progenitor allele. +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'genomic fragment') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - genomic fragment" EXACT [] synonym: "in vitro construct | genomic fragment" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000461 -name: in vitro construct - minigene +name: obsolete in vitro construct - minigene namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct that contains the wild-type open reading frame of a gene (without introns), the expression of which is controlled by a wild-type promoter of the same gene. Such constructs are often generated by fusing a cDNA to a genomic region containing promoter sequences, or more rarely by deletion of introns and other non-essential sequences from a genomic region, leaving a wild type coding region and promoter intact." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'minigene') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - minigene" EXACT [] synonym: "in vitro construct | minigene" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000462 -name: in vitro construct - amino acid replacement +name: obsolete in vitro construct - amino acid replacement namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene resulting in a change to the change to the amino acids sequence encodes.." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'amino acid replacement') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - amino acid replacement" EXACT [] synonym: "in vitro construct | amino acid replacement" RELATED [] -is_a: FBcv:0000458 ! in vitro construct - site directed mutagenesis +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000463 -name: in vitro construct - RNAi +name: obsolete in vitro construct - RNAi namespace: origin_of_mutation def: "Sequence change introduced by an in vitro construct designed to generate dsRNA for RNA interference (RNAi) experiments." [FBC:DOS] +comment: This term has been obsoleted because the nature of an in vitro construct (e.g. 'RNAi') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information. synonym: "change induced by an in vitro construct - RNAi" EXACT [] synonym: "in vitro construct | RNAi" RELATED [] -is_a: FBcv:0000455 ! in vitro construct +is_obsolete: true +consider: FBcv:0000455 [Term] id: FBcv:0000464 @@ -8667,17 +8681,19 @@ is_a: FBcv:0005039 ! light-regulated activity regulation tag [Term] id: FBcv:0005042 -name: gene product degradation tag +name: degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation." [FBC:GM] -is_a: FBcv:0005001 ! experimental tool descriptor +synonym: "gene product degradation tag" EXACT [] +is_a: FBcv:0007068 ! gene product degradation tool [Term] id: FBcv:0005043 -name: cell cycle-regulated gene product degradation tag +name: cell cycle-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by the cell cycle." [FBC:GM] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "cell cycle-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag [Term] id: FBcv:0005044 @@ -8969,11 +8985,12 @@ is_a: FBcv:0005081 ! engineered regulatory region [Term] id: FBcv:0005083 -name: small molecule-regulated gene product degradation tag +name: small molecule-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by a small molecule." [FBC:GM] synonym: "small molecule-dependent gene product degradation tag" EXACT [] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "small molecule-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag [Term] id: FBcv:0006000 @@ -9286,6 +9303,13 @@ namespace: experimental_tool_descriptor def: "Sequence that has a property that allows specific binding to another macromolecule, where this property can be regulated by binding to a small molecule, such as an ion or ligand." [FBC:GM] is_a: FBcv:0007030 ! conditional specific binding tool +[Term] +id: FBcv:0007034 +name: signaling pathway group +namespace: group_descriptor +def: "Genes whose products act in a specified signal transduction pathway." [FBC:SM] +is_a: FBcv:0003017 ! pathway group + [Term] id: FBcv:0007035 name: meganuclease @@ -9384,10 +9408,11 @@ is_a: FBcv:0007045 ! RNA engineering tool [Term] id: FBcv:0007047 -name: light-regulated gene product degradation tag +name: light-regulated degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by irradiation with a pulse of light." [FBC:GM] -is_a: FBcv:0009016 ! conditional gene product degradation tag +synonym: "light-regulated gene product degradation tag" EXACT [] +is_a: FBcv:0009016 ! conditional degradation tag [Term] id: FBcv:0007048 @@ -9522,6 +9547,36 @@ namespace: experimental_tool_descriptor def: "Transactivator ('driver') that forms part of a binary expression system and whose activity is regulated by irradiation with a pulse of light. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. Use of a light-regulated driver permits further refinement of this expression pattern." [FBC:GM] is_a: FBcv:0005064 ! binary expression system - conditional driver +[Term] +id: FBcv:0007065 +name: metabolic pathway group +namespace: group_descriptor +def: "Genes whose products act in a specified metabolic pathway." [FBC:SM] +is_a: FBcv:0003017 ! pathway group + +[Term] +id: FBcv:0007066 +name: chemical labeling reporter +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in covalent tagging of the protein product with a small molecule whose properties (typically fluorescence) can be used to detect the presence of that protein product." [FBC:GM] +subset: common_tool_use +is_a: FBcv:0005005 ! reporter enzyme + +[Term] +id: FBcv:0007067 +name: bioluminescence reporter +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in bioluminescence, which can be used to detect the presence of that protein product." [FBC:GM] +is_a: FBcv:0005005 ! reporter enzyme + +[Term] +id: FBcv:0007068 +name: gene product degradation tool +namespace: experimental_tool_descriptor +def: "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and which can be used to target a gene product for degradation in a defined manner." [FBC:GM] +comment: Degradation tool may or may not be fused directly to the degradation target. +is_a: FBcv:0005001 ! experimental tool descriptor + [Term] id: FBcv:0007500 name: abnormal anesthesia-resistant memory @@ -10101,10 +10156,11 @@ is_a: FBcv:0003164 ! biosample method [Term] id: FBcv:0009016 -name: conditional gene product degradation tag +name: conditional degradation tag namespace: experimental_tool_descriptor def: "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated in response to a particular stimulus." [FBC:GM] -is_a: FBcv:0005042 ! gene product degradation tag +synonym: "conditional gene product degradation tag" EXACT [] +is_a: FBcv:0005042 ! degradation tag [Term] id: FBcv:0009017 diff --git a/src/ontology/components/dpo-simple.owl b/src/ontology/components/dpo-simple.owl index b9ed9e7..12b2b97 100644 --- a/src/ontology/components/dpo-simple.owl +++ b/src/ontology/components/dpo-simple.owl @@ -15,7 +15,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + http://dx.doi.org/10.1186/2041-1480-4-30 http://orcid.org/0000-0002-1373-1705 @@ -25,9 +25,9 @@ An ontology for the description of Drosophila melanogaster phenotypes. Drosophila Phenotype Ontology (DPO) https://creativecommons.org/licenses/by/4.0/ - 23:02:2024 08:54 + 25:04:2024 13:28 FlyBase miscellaneous CV - 2024-02-23 + 2024-04-25 @@ -49,18 +49,6 @@ - - - - - - - - - - - - @@ -69,61 +57,15 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - preferred_root - + - - term replaced by - - - - - - - - - - - - - + @@ -477,9 +419,7 @@ - - consider - + @@ -569,9 +509,7 @@ - - id - + @@ -625,34 +563,12 @@ - is part of - my brain is part of my body (continuant parthood, two material entities) - my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) - this day is part of this year (occurrent parthood) a core relation that holds between a part and its whole - Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. - Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ - Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) - -A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'. - part_of - - - - - - - - part of - - - http://www.obofoundry.org/ro/#OBO_REL:part_of - https://wiki.geneontology.org/Part_of @@ -661,18 +577,7 @@ A continuant cannot be part of an occurrent: use 'participates in'. An - has part - my body has part my brain (continuant parthood, two material entities) - my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) - this year has part this day (occurrent parthood) a core relation that holds between a whole and its part - Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part. - Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ - Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) - -A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. - has_part - @@ -689,7 +594,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. - precedes x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. precedes @@ -731,12 +635,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. - inheres in - this fragility is a characteristic of this vase - this red color is a characteristic of this apple a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence. - inheres_in - Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. characteristic of @@ -747,7 +646,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. - David Osumi-Sutherland t1 before t2 iff:= t1 before_or_simulataneous_with t2 and not (t1 simultaeous_with t2) before @@ -767,13 +665,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. - Because part_of is transitive, inheres in is a sub-relation of characteristic of part of - - inheres in part of - - characteristic of part of - @@ -784,8 +676,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. has member is a mereological relation between a collection and an item. - SIO - has member @@ -795,9 +685,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2 - This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C. - - towards @@ -807,9 +694,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. A relation that holds between an attribute or a qualifier and another attribute. - - - This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the "modifiers" are. has modifier diff --git a/src/ontology/imports/merged_import.owl b/src/ontology/imports/merged_import.owl index 36a8b0c..7b3b996 100644 --- a/src/ontology/imports/merged_import.owl +++ b/src/ontology/imports/merged_import.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2024-02-23") + +Annotation(owl:versionInfo "2024-04-25") Declaration(Class()) Declaration(Class()) @@ -19,7 +19,6 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -1070,60 +1069,26 @@ Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) -Declaration(NamedIndividual()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -1132,100 +1097,48 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty(rdfs:comment)) Declaration(AnnotationProperty(rdfs:label)) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) ############################ # Annotation Properties ############################ -# Annotation Property: (example of usage) - -AnnotationAssertion(rdfs:label "example of usage") - # Annotation Property: (definition) AnnotationAssertion(rdfs:label "definition") -# Annotation Property: (temporal interpretation) - -AnnotationAssertion( "An assertion that holds between an OWL Object Property and a temporal interpretation that elucidates how OWL Class Axioms that use this property are to be interpreted in a temporal context.") -AnnotationAssertion(rdfs:label "temporal interpretation") -AnnotationAssertion(rdfs:seeAlso ) - # Annotation Property: () SubAnnotationPropertyOf( ) -# Annotation Property: (is a defining property chain axiom) - -AnnotationAssertion( "If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL") -AnnotationAssertion(rdfs:label "is a defining property chain axiom") - # Annotation Property: (is a defining property chain axiom where second argument is reflexive) AnnotationAssertion( "If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R.") AnnotationAssertion(rdfs:label "is a defining property chain axiom where second argument is reflexive") -# Annotation Property: (is homeomorphic for) - -AnnotationAssertion( "part-of is homeomorphic for independent continuants.") -AnnotationAssertion( "R is homemorphic for C iff (1) there exists some x,y such that x R y, and x and y instantiate C and (2) for all x, if x is an instance of C, and there exists some y some such that x R y, then it follows that y is an instance of C.") -AnnotationAssertion( ) -AnnotationAssertion( "2018-10-21T19:46:34Z"^^xsd:dateTime) -AnnotationAssertion(rdfs:comment "R homeomorphic-for C expands to: C SubClassOf R only C. Additionally, for any class D that is disjoint with C, we can also expand to C DisjointWith R some D, D DisjointWith R some C.") -AnnotationAssertion(rdfs:label "is homeomorphic for") -AnnotationAssertion(rdfs:seeAlso ) - # Annotation Property: (valid_for_go_annotation_extension) -AnnotationAssertion( ) -AnnotationAssertion( "2020-09-22T11:05:29Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "valid_for_go_annotation_extension"@en) -AnnotationAssertion(rdfs:seeAlso ) SubAnnotationPropertyOf( ) # Annotation Property: (valid_for_go_gp2term) -AnnotationAssertion( ) -AnnotationAssertion( "2020-09-22T11:05:18Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "valid_for_go_gp2term"@en) -AnnotationAssertion(rdfs:seeAlso ) SubAnnotationPropertyOf( ) # Annotation Property: (valid_for_go_ontology) -AnnotationAssertion( ) -AnnotationAssertion( "2020-09-22T11:04:12Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "valid_for_go_ontology"@en) -AnnotationAssertion(rdfs:seeAlso ) SubAnnotationPropertyOf( ) # Annotation Property: (valid_for_gocam) -AnnotationAssertion( ) -AnnotationAssertion( "2020-09-22T11:05:45Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "valid_for_gocam"@en) -AnnotationAssertion(rdfs:seeAlso ) SubAnnotationPropertyOf( ) -# Annotation Property: () - -SubAnnotationPropertyOf( ) - -# Annotation Property: () - -SubAnnotationPropertyOf( ) - -# Annotation Property: () - -SubAnnotationPropertyOf( ) - # Annotation Property: () SubAnnotationPropertyOf( ) @@ -1281,52 +1194,19 @@ AnnotationAssertion(rdfs:label (part of) -AnnotationAssertion( "is part of"@en) -AnnotationAssertion( "my brain is part of my body (continuant parthood, two material entities)"@en) -AnnotationAssertion( "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)"@en) -AnnotationAssertion( "this day is part of this year (occurrent parthood)"@en) AnnotationAssertion( "a core relation that holds between a part and its whole"@en) -AnnotationAssertion( "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other."@en) -AnnotationAssertion( "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/"@en) -AnnotationAssertion( "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) - -A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'."@en) -AnnotationAssertion( "part_of"@en) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "part of"@en) -AnnotationAssertion(rdfs:seeAlso ) -AnnotationAssertion(rdfs:seeAlso ) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Part_of"^^xsd:anyURI) -AnnotationAssertion(rdfs:seeAlso "http://www.obofoundry.org/ro/#OBO_REL:part_of") SubObjectPropertyOf( ) InverseObjectProperties( ) TransitiveObjectProperty() # Object Property: (has part) -AnnotationAssertion( "has part"@en) -AnnotationAssertion( "my body has part my brain (continuant parthood, two material entities)"@en) -AnnotationAssertion( "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)"@en) -AnnotationAssertion( "this year has part this day (occurrent parthood)"@en) AnnotationAssertion( "a core relation that holds between a whole and its part"@en) -AnnotationAssertion( "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part."@en) -AnnotationAssertion( "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/"@en) -AnnotationAssertion( "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) - -A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."@en) -AnnotationAssertion( "has_part"@en) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -1336,12 +1216,7 @@ TransitiveObjectProperty() # Object Property: (preceded by) -AnnotationAssertion( "preceded by"@en) AnnotationAssertion( "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en) -AnnotationAssertion( "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other."@en) -AnnotationAssertion( "is preceded by"@en) -AnnotationAssertion( "preceded_by"@en) -AnnotationAssertion( "http://www.obofoundry.org/ro/#OBO_REL:preceded_by") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "preceded by"@en) SubObjectPropertyOf( ) @@ -1352,7 +1227,6 @@ ObjectPropertyRange( (precedes) -AnnotationAssertion( "precedes"@en) AnnotationAssertion( "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "precedes"@en) @@ -1363,12 +1237,7 @@ ObjectPropertyRange( (characteristic of) -AnnotationAssertion( "inheres in"@en) -AnnotationAssertion( "this fragility is a characteristic of this vase"@en) -AnnotationAssertion( "this red color is a characteristic of this apple"@en) AnnotationAssertion( "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence."@en) -AnnotationAssertion( "inheres_in"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "Note that this relation was previously called \"inheres in\", but was changed to be called \"characteristic of\" because BFO2 uses \"inheres in\" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing.") AnnotationAssertion(rdfs:label "characteristic of"@en) SubObjectPropertyOf( ) @@ -1377,26 +1246,14 @@ FunctionalObjectProperty() # Object Property: (has characteristic) -AnnotationAssertion( "bearer of"@en) -AnnotationAssertion( "this apple is bearer of this red color"@en) -AnnotationAssertion( "this vase is bearer of this fragility"@en) AnnotationAssertion( "Inverse of characteristic_of"@en) -AnnotationAssertion( "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist."@en) -AnnotationAssertion( "bearer_of"@en) -AnnotationAssertion( "is bearer of"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has characteristic"@en) InverseFunctionalObjectProperty() ObjectPropertyRange( ) # Object Property: (participates in) -AnnotationAssertion( "participates in"@en) -AnnotationAssertion( "this blood clot participates in this blood coagulation"@en) -AnnotationAssertion( "this input material (or this output material) participates in this process"@en) -AnnotationAssertion( "this investigator participates in this investigation"@en) AnnotationAssertion( "a relation between a continuant and a process, in which the continuant is somehow involved in the process"@en) -AnnotationAssertion( "participates_in"@en) AnnotationAssertion(rdfs:label "participates in"@en) InverseObjectProperties( ) ObjectPropertyDomain( ) @@ -1404,25 +1261,14 @@ ObjectPropertyRange( (has participant) -AnnotationAssertion( "has participant"@en) -AnnotationAssertion( "this blood coagulation has participant this blood clot"@en) -AnnotationAssertion( "this investigation has participant this investigator"@en) -AnnotationAssertion( "this process has participant this input material (or this output material)"@en) AnnotationAssertion( "a relation between a process and a continuant, in which the continuant is somehow involved in the process"@en) -AnnotationAssertion( "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time."@en) -AnnotationAssertion( "has_participant"@en) -AnnotationAssertion( "http://www.obofoundry.org/ro/#OBO_REL:has_participant") AnnotationAssertion(rdfs:label "has participant"@en) ObjectPropertyDomain( ) ObjectPropertyRange( ) # Object Property: (function of) -AnnotationAssertion( "this catalysis function is a function of this enzyme"@en) AnnotationAssertion( "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists."@en) -AnnotationAssertion( "function_of"@en) -AnnotationAssertion( "is function of"@en) AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") AnnotationAssertion(rdfs:label "function of"@en) SubObjectPropertyOf( ) @@ -1431,11 +1277,7 @@ ObjectPropertyDomain( (quality of) -AnnotationAssertion( "this red color is a quality of this apple"@en) AnnotationAssertion( "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A quality inheres in its bearer at all times for which the quality exists."@en) -AnnotationAssertion( "is quality of"@en) -AnnotationAssertion( "quality_of"@en) AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") AnnotationAssertion(rdfs:label "quality of"@en) SubObjectPropertyOf( ) @@ -1443,11 +1285,7 @@ InverseObjectProperties( (role of) -AnnotationAssertion( "this investigator role is a role of this person"@en) AnnotationAssertion( "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists."@en) -AnnotationAssertion( "is role of"@en) -AnnotationAssertion( "role_of"@en) AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") AnnotationAssertion(rdfs:label "role of"@en) SubObjectPropertyOf( ) @@ -1455,10 +1293,7 @@ InverseObjectProperties( (has function) -AnnotationAssertion( "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)"@en) AnnotationAssertion( "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists."@en) -AnnotationAssertion( "has_function"@en) AnnotationAssertion(rdfs:label "has function"@en) SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -1466,20 +1301,14 @@ ObjectPropertyRange( (has quality) -AnnotationAssertion( "this apple has quality this red color"@en) AnnotationAssertion( "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en) -AnnotationAssertion( "has_quality"@en) AnnotationAssertion(rdfs:label "has quality"@en) SubObjectPropertyOf( ) ObjectPropertyRange( ) # Object Property: (has role) -AnnotationAssertion( "this person has role this investigator role (more colloquially: this person has this role of investigator)"@en) AnnotationAssertion( "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence"@en) -AnnotationAssertion( "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists."@en) -AnnotationAssertion( "has_role"@en) AnnotationAssertion(rdfs:label "has role"@en) SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -1505,8 +1334,6 @@ SubObjectPropertyOf( (has regulatory component activity) AnnotationAssertion( "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-05-24T09:30:46Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "has regulatory component activity") SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -1514,8 +1341,6 @@ SubObjectPropertyOf( (has negative regulatory component activity) AnnotationAssertion( "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-05-24T09:31:01Z"^^xsd:dateTime) AnnotationAssertion(rdfs:comment "By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'.") AnnotationAssertion(rdfs:label "has negative regulatory component activity") SubObjectPropertyOf( ) @@ -1524,8 +1349,6 @@ SubObjectPropertyOf( (has positive regulatory component activity) AnnotationAssertion( "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-05-24T09:31:17Z"^^xsd:dateTime) AnnotationAssertion(rdfs:comment "By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'.") AnnotationAssertion(rdfs:label "has positive regulatory component activity") SubObjectPropertyOf( ) @@ -1533,8 +1356,6 @@ SubObjectPropertyOf( (has component activity) -AnnotationAssertion( ) -AnnotationAssertion( "2017-05-24T09:44:33Z"^^xsd:dateTime) AnnotationAssertion(rdfs:comment "A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B.") AnnotationAssertion(rdfs:label "has component activity") SubObjectPropertyOf( ) @@ -1542,8 +1363,6 @@ SubObjectPropertyOf( (has component process) AnnotationAssertion( "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-05-24T09:49:21Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "has component process") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -1551,8 +1370,6 @@ ObjectPropertyRange( (directly regulated by) -AnnotationAssertion( ) -AnnotationAssertion( "2017-09-17T13:52:24Z"^^xsd:dateTime) AnnotationAssertion(Annotation( ) rdfs:comment "Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.") AnnotationAssertion(rdfs:label "directly regulated by") SubObjectPropertyOf( ) @@ -1561,8 +1378,6 @@ InverseObjectProperties( (directly negatively regulated by) AnnotationAssertion(Annotation( ) "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-09-17T13:52:38Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "directly negatively regulated by") SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -1570,8 +1385,6 @@ InverseObjectProperties( (directly positively regulated by) AnnotationAssertion(Annotation( ) "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-09-17T13:52:47Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "directly positively regulated by") SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -1579,8 +1392,6 @@ InverseObjectProperties( (has effector activity) AnnotationAssertion(Annotation( ) "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.") -AnnotationAssertion( ) -AnnotationAssertion( "2017-09-22T14:14:36Z"^^xsd:dateTime) AnnotationAssertion(rdfs:comment "This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations.") AnnotationAssertion(rdfs:label "has effector activity") SubObjectPropertyOf( ) @@ -1588,8 +1399,6 @@ FunctionalObjectProperty() # Object Property: (before or simultaneous with) -AnnotationAssertion( "David Osumi-Sutherland") -AnnotationAssertion( "<="@en) AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "Primitive instance level timing relation between events") AnnotationAssertion(rdfs:label "before or simultaneous with"@en) @@ -1597,7 +1406,6 @@ SubObjectPropertyOf( (before) -AnnotationAssertion( "David Osumi-Sutherland") AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "t1 before t2 iff:= t1 before_or_simulataneous_with t2 and not (t1 simultaeous_with t2)"@en) AnnotationAssertion(rdfs:label "before"@en) @@ -1606,7 +1414,6 @@ TransitiveObjectProperty() # Object Property: (ends after) -AnnotationAssertion( "David Osumi-Sutherland") AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)"@en) AnnotationAssertion(rdfs:label "ends after"@en) @@ -1615,8 +1422,6 @@ TransitiveObjectProperty() # Object Property: (immediately preceded by) -AnnotationAssertion( "David Osumi-Sutherland") -AnnotationAssertion( "starts_at_end_of") AnnotationAssertion(rdfs:comment "X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)"@en) AnnotationAssertion(rdfs:label "immediately preceded by"@en) SubObjectPropertyOf( ) @@ -1624,11 +1429,6 @@ InverseObjectProperties( (immediately precedes) -AnnotationAssertion( ) -AnnotationAssertion( "David Osumi-Sutherland") -AnnotationAssertion( "ends_at_start_of") -AnnotationAssertion( "meets") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)"@en) AnnotationAssertion(rdfs:label "immediately precedes"@en) @@ -1636,10 +1436,7 @@ SubObjectPropertyOf( (overlaps) -AnnotationAssertion( ) AnnotationAssertion( "x overlaps y if and only if there exists some z such that x has part z and z part of y") -AnnotationAssertion( "http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -1649,24 +1446,14 @@ SymmetricObjectProperty() # Object Property: (has component) -AnnotationAssertion( ) AnnotationAssertion( "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.") -AnnotationAssertion( "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity.") -AnnotationAssertion( "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit."@en) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has component"@en) -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) # Object Property: (develops from) -AnnotationAssertion( ) AnnotationAssertion( "x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "This is the transitive form of the develops from relation") AnnotationAssertion(rdfs:label "develops from"@en) SubObjectPropertyOf( ) @@ -1678,11 +1465,7 @@ ObjectPropertyRange( (develops into) -AnnotationAssertion( ) AnnotationAssertion( "inverse of develops from") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "develops into"@en) SubObjectPropertyOf( ) @@ -1693,14 +1476,6 @@ TransitiveObjectProperty() # Object Property: (regulates) AnnotationAssertion( "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "GO") -AnnotationAssertion( "Regulation precludes parthood; the regulatory process may not be within the regulated process.") -AnnotationAssertion( "regulates (processual)") -AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -1714,10 +1489,6 @@ ObjectPropertyRange( (negatively regulates) AnnotationAssertion( "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "negatively regulates (process to process)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -1729,10 +1500,6 @@ InverseObjectProperties( (positively regulates) AnnotationAssertion( "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "positively regulates (process to process)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -1744,14 +1511,7 @@ TransitiveObjectProperty() # Object Property: (capable of) -AnnotationAssertion( "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)") -AnnotationAssertion( "osteoclast SubClassOf 'capable of' some 'bone resorption'") AnnotationAssertion( "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. ") -AnnotationAssertion( ) -AnnotationAssertion( "has function realized in") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\".") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "capable of"@en) SubObjectPropertyOf( ) @@ -1761,20 +1521,12 @@ ObjectPropertyRange( (capable of part of) AnnotationAssertion( "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p.") -AnnotationAssertion( ) -AnnotationAssertion( "has function in") AnnotationAssertion(rdfs:label "capable of part of"@en) -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (temporally related to) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends.") -AnnotationAssertion( "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1"^^xsd:anyURI) AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.") AnnotationAssertion(rdfs:label "temporally related to"@en) @@ -1783,26 +1535,19 @@ ObjectPropertyRange( (has input) -AnnotationAssertion( ) AnnotationAssertion( "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p.") -AnnotationAssertion( ) -AnnotationAssertion( "consumes") AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has input"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Has_input"^^xsd:anyURI) SubObjectPropertyOf( ) InverseObjectProperties( ) ObjectPropertyDomain( ) # Object Property: (has developmental contribution from) -AnnotationAssertion( "Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong]") -AnnotationAssertion( ) AnnotationAssertion( "x has developmental contribution from y iff x has some part z such that z develops from y"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has developmental contribution from"@en) SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -1811,9 +1556,7 @@ ObjectPropertyRange( (developmentally contributes to) -AnnotationAssertion( ) AnnotationAssertion( "inverse of has developmental contribution from") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "developmentally contributes to"@en) SubObjectPropertyOf( ) @@ -1821,11 +1564,7 @@ SubObjectPropertyOf( (developmentally preceded by) -AnnotationAssertion( ) AnnotationAssertion( "Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p") -AnnotationAssertion( "false"^^xsd:boolean) -AnnotationAssertion( ) -AnnotationAssertion( "In general you should not use this relation to make assertions - use one of the more specific relations below this one") AnnotationAssertion(rdfs:comment "This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from") AnnotationAssertion(rdfs:label "developmentally preceded by"@en) SubObjectPropertyOf( ) @@ -1835,141 +1574,97 @@ ObjectPropertyRange( (acts upstream of) -AnnotationAssertion( "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision.") AnnotationAssertion( "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes.") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of") -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) # Object Property: (acts upstream of or within) -AnnotationAssertion( "A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway.") AnnotationAssertion( "c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process.") AnnotationAssertion( "affects") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of or within") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within"^^xsd:anyURI) SubObjectPropertyOf( ) # Object Property: (developmentally succeeded by) -AnnotationAssertion( ) AnnotationAssertion( "Inverse of developmentally preceded by") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "developmentally succeeded by"@en) SubObjectPropertyOf( ) # Object Property: (causally upstream of, positive effect) AnnotationAssertion( "p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:comment "holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y") AnnotationAssertion(rdfs:label "causally upstream of, positive effect") -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (causally upstream of, negative effect) AnnotationAssertion( "p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causally upstream of, negative effect") -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (characteristic of part of) AnnotationAssertion( "q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w.") -AnnotationAssertion( "Because part_of is transitive, inheres in is a sub-relation of characteristic of part of") -AnnotationAssertion( ) -AnnotationAssertion( "inheres in part of") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "characteristic of part of"@en) -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) # Object Property: (mereotopologically related to) AnnotationAssertion( "A mereological relationship or a topological relationship") -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "mereotopologically related to"@en) # Object Property: (developmentally related to) AnnotationAssertion( "A relationship that holds between entities participating in some developmental process (GO:0032502)") -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development") AnnotationAssertion(rdfs:label "developmentally related to"@en) # Object Property: (enables) -AnnotationAssertion( "a particular instances of akt-2 enables some instance of protein kinase activity") AnnotationAssertion( "c enables p iff c is capable of p and c acts to execute p.") -AnnotationAssertion( ) -AnnotationAssertion( "catalyzes") -AnnotationAssertion( "executes") -AnnotationAssertion( "has") -AnnotationAssertion( "is catalyzing") -AnnotationAssertion( "is executing") -AnnotationAssertion( "This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized.") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "enables"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Enables"^^xsd:anyURI) SubObjectPropertyOf( ) InverseObjectProperties( ) # Object Property: (functionally related to) AnnotationAssertion( "A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities.") -AnnotationAssertion( ) -AnnotationAssertion( "This is a grouping relation that collects relations used for the purpose of connecting structure and function") AnnotationAssertion(rdfs:label "functionally related to"@en) # Object Property: (part of structure that is capable of) AnnotationAssertion( "this relation holds between c and p when c is part of some c', and c' is capable of p.") -AnnotationAssertion( ) -AnnotationAssertion( "false"^^xsd:boolean) AnnotationAssertion(rdfs:label "part of structure that is capable of"@en) SubObjectPropertyOf( ) # Object Property: (involved in) AnnotationAssertion( "c involved_in p if and only if c enables some process p', and p' is part of p") -AnnotationAssertion( ) -AnnotationAssertion( "actively involved in") -AnnotationAssertion( "enables part of") AnnotationAssertion(rdfs:label "involved in"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Involved_in"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (enabled by) AnnotationAssertion( "inverse of enables") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "enabled by"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Enabled_by"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (regulated by) AnnotationAssertion( "inverse of regulates") -AnnotationAssertion( ) -AnnotationAssertion( "regulated by (processual)") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "regulated by"@en) SubObjectPropertyOf( ) @@ -1980,7 +1675,6 @@ ObjectPropertyRange( (negatively regulated by) AnnotationAssertion( "inverse of negatively regulates") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "negatively regulated by"@en) SubObjectPropertyOf( ) @@ -1988,19 +1682,13 @@ SubObjectPropertyOf( (positively regulated by) AnnotationAssertion( "inverse of positively regulates") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "positively regulated by"@en) SubObjectPropertyOf( ) # Object Property: (member of) -AnnotationAssertion( "An organism that is a member of a population of organisms") AnnotationAssertion( "is member of is a mereological relation between a item and a collection.") -AnnotationAssertion( "is member of") -AnnotationAssertion( "member part of") -AnnotationAssertion( "SIO") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "member of"@en) SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -2008,8 +1696,6 @@ InverseObjectProperties( (has member) AnnotationAssertion( "has member is a mereological relation between a collection and an item.") -AnnotationAssertion( "SIO") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has member"@en) SubObjectPropertyOf( ) IrreflexiveObjectProperty() @@ -2017,7 +1703,6 @@ IrreflexiveObjectProperty() # Object Property: (input of) AnnotationAssertion( "inverse of has input") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "input of"@en) @@ -2026,9 +1711,7 @@ SubObjectPropertyOf( (has developmental potential involving) -AnnotationAssertion( ) AnnotationAssertion( "x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction)."@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has developmental potential involving"@en) SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2036,33 +1719,25 @@ ObjectPropertyRange( (has potential to developmentally contribute to) -AnnotationAssertion( ) AnnotationAssertion( "x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has potential to developmentally contribute to"@en) SubObjectPropertyOf( ) # Object Property: (has potential to develop into) -AnnotationAssertion( ) AnnotationAssertion( "x has the potential to develop into y iff x develops into y or if x is capable of developing into y"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has potential to develop into"@en) SubObjectPropertyOf( ) # Object Property: (has potential to directly develop into) -AnnotationAssertion( ) AnnotationAssertion( "x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y"@en) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has potential to directly develop into"@en) SubObjectPropertyOf( ) # Object Property: (causally downstream of) -AnnotationAssertion( ) AnnotationAssertion( "inverse of upstream of") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causally downstream of"@en) SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2070,8 +1745,6 @@ InverseObjectProperties( (immediately causally downstream of) -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "immediately causally downstream of"@en) SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2080,11 +1753,7 @@ InverseObjectProperties( (indirectly positively regulates) AnnotationAssertion( "p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( "indirectly activates") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "indirectly positively regulates"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_positively_regulates"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) TransitiveObjectProperty() @@ -2092,11 +1761,7 @@ TransitiveObjectProperty() # Object Property: (indirectly negatively regulates) AnnotationAssertion( "p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( "indirectly inhibits") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "indirectly negatively regulates"@en) -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_negatively_regulates"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) TransitiveObjectProperty() @@ -2104,29 +1769,11 @@ TransitiveObjectProperty() # Object Property: (causally related to) AnnotationAssertion(Annotation( "https://en.wikipedia.org/wiki/Causality") "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause.") -AnnotationAssertion( "This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. - -To define causal relations in an activity-flow type network, we make use of 3 primitives: - - * Temporal: how do the intervals of the two occurrents relate? - * Is the causal relation regulatory? - * Is the influence positive or negative? - -The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. - -For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. - -For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. - -Each of these 3 primitives can be composed to yield a cross-product of different relation types.") -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.") AnnotationAssertion(rdfs:label "causally related to"@en) # Object Property: (causally upstream of) AnnotationAssertion( "p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q.") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causally upstream of"@en) @@ -2137,8 +1784,6 @@ TransitiveObjectProperty() # Object Property: (immediately causally upstream of) AnnotationAssertion( "p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "immediately causally upstream of"@en) SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2146,9 +1791,6 @@ SubObjectPropertyOf( (causally upstream of or within) AnnotationAssertion( "p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q.") -AnnotationAssertion( "We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2") -AnnotationAssertion( ) -AnnotationAssertion( "influences (processual)") AnnotationAssertion( "affects") AnnotationAssertion(rdfs:label "causally upstream of or within") SubObjectPropertyOf( ) @@ -2158,8 +1800,6 @@ TransitiveObjectProperty() # Object Property: (causally downstream of or within) AnnotationAssertion( "inverse of causally upstream of or within") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causally downstream of or within") SubObjectPropertyOf( ) @@ -2168,7 +1808,6 @@ TransitiveObjectProperty() # Object Property: (involved in regulation of) AnnotationAssertion( "c involved in regulation of p if c is involved in some p' and p' regulates some p") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "involved in regulation of") SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2176,25 +1815,18 @@ SubObjectPropertyOf( (involved in positive regulation of) AnnotationAssertion( "c involved in regulation of p if c is involved in some p' and p' positively regulates some p") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "involved in positive regulation of") SubObjectPropertyOf( ) # Object Property: (involved in negative regulation of) AnnotationAssertion( "c involved in regulation of p if c is involved in some p' and p' negatively regulates some p") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "involved in negative regulation of") SubObjectPropertyOf( ) # Object Property: (involved in or involved in regulation of) AnnotationAssertion( "c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p") -AnnotationAssertion( "OWL does not allow defining object properties via a Union") -AnnotationAssertion( ) -AnnotationAssertion( "involved in or reguates") AnnotationAssertion(rdfs:label "involved in or involved in regulation of") SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2203,15 +1835,9 @@ SubObjectPropertyOf( (interacts with) AnnotationAssertion( "A relationship that holds between two entities in which the processes executed by the two entities are causally connected.") -AnnotationAssertion( "Considering relabeling as 'pairwise interacts with'"^^xsd:anyURI) -AnnotationAssertion( "This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact.") -AnnotationAssertion( ) -AnnotationAssertion( "Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules.") AnnotationAssertion( "in pairwise interaction with") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "interacts with") -AnnotationAssertion(rdfs:seeAlso "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/"^^xsd:anyURI) -AnnotationAssertion( "http://purl.obolibrary.org/obo/MI_0914"^^xsd:anyURI) SymmetricObjectProperty() ObjectPropertyDomain( ) ObjectPropertyRange( ) @@ -2219,12 +1845,7 @@ ObjectPropertyRange( (molecularly interacts with) AnnotationAssertion( "An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other.") -AnnotationAssertion( ) -AnnotationAssertion( "binds") -AnnotationAssertion( "molecularly binds with") AnnotationAssertion(rdfs:label "molecularly interacts with") -AnnotationAssertion(rdfs:seeAlso ) -AnnotationAssertion( "http://purl.obolibrary.org/obo/MI_0915"^^xsd:anyURI) SubObjectPropertyOf( ) SymmetricObjectProperty() @@ -2233,8 +1854,6 @@ SymmetricObjectProperty() AnnotationAssertion( "The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion( "molecularly controls") AnnotationAssertion(rdfs:label "directly regulates activity of") SubObjectPropertyOf( ) @@ -2246,9 +1865,6 @@ ObjectPropertyRange( "The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "directly inhibits") AnnotationAssertion( "molecularly decreases activity of") AnnotationAssertion(rdfs:label "directly negatively regulates activity of") SubObjectPropertyOf( ) @@ -2259,9 +1875,6 @@ ObjectPropertyRange( "The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "directly activates") AnnotationAssertion( "molecularly increases activity of") AnnotationAssertion(rdfs:label "directly positively regulates activity of") SubObjectPropertyOf( ) @@ -2271,7 +1884,6 @@ ObjectPropertyRange( (causal agent in process) AnnotationAssertion( "A relationship between a material entity and a process where the material entity has some causal role that influences the process") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causal agent in process") SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -2279,9 +1891,6 @@ InverseObjectProperties( (causal relation between processes) AnnotationAssertion( "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.") AnnotationAssertion(rdfs:label "causal relation between processes") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2289,25 +1898,16 @@ ObjectPropertyRange( (depends on) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "depends on") -AnnotationAssertion(rdfs:seeAlso ) # Object Property: (towards) AnnotationAssertion( "q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2") -AnnotationAssertion( "This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "towards") SubObjectPropertyOf( ) # Object Property: (causal relation between entities) -AnnotationAssertion( "The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.") AnnotationAssertion(rdfs:label "causal relation between entities") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2315,9 +1915,6 @@ ObjectPropertyRange( (causally influenced by) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "causally influenced by (entity-centric)") AnnotationAssertion(rdfs:label "causally influenced by") SubObjectPropertyOf( ) InverseObjectProperties( ) @@ -2325,10 +1922,6 @@ InverseObjectProperties( (causally influences) AnnotationAssertion( "The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size).") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "causally influences (entity-centric)") AnnotationAssertion(rdfs:label "causally influences") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2337,9 +1930,6 @@ ObjectPropertyRange( (has modifier) AnnotationAssertion( "A relation that holds between an attribute or a qualifier and another attribute.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the \"modifiers\" are.") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has modifier") ObjectPropertyDomain( ) @@ -2348,10 +1938,6 @@ ObjectPropertyRange( (directly regulates) AnnotationAssertion( "p directly regulates q iff p is immediately causally upstream of q and p regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "directly regulates (processual)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) @@ -2361,9 +1947,7 @@ SubObjectPropertyOf( (has part structure that is capable of) -AnnotationAssertion( "gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'") AnnotationAssertion( "s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "has part structure that is capable of") SubObjectPropertyOf( ) SubObjectPropertyOf( ) @@ -2371,9 +1955,6 @@ SubObjectPropertyOf( (causal relation between material entity and a process) AnnotationAssertion( "A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity.") -AnnotationAssertion( "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.") -AnnotationAssertion( ) -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "causal relation between material entity and a process") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2381,136 +1962,95 @@ ObjectPropertyRange( (capable of regulating) -AnnotationAssertion( "pyrethroid -> growth") AnnotationAssertion( "Holds between c and p if and only if c is capable of some activity a, and a regulates p.") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "capable of regulating") SubObjectPropertyOf( ) # Object Property: (capable of negatively regulating) AnnotationAssertion( "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p.") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "capable of negatively regulating") SubObjectPropertyOf( ) # Object Property: (capable of positively regulating) -AnnotationAssertion( "renin -> arteriolar smooth muscle contraction") AnnotationAssertion( "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p.") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "capable of positively regulating") SubObjectPropertyOf( ) # Object Property: (process has causal agent) AnnotationAssertion( "Inverse of 'causal agent in process'") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "process has causal agent") SubObjectPropertyOf( ) # Object Property: (directly positively regulates) AnnotationAssertion( "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( "directly positively regulates (process to process)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "directly positively regulates") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Directly_positively_regulates"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (directly negatively regulates) AnnotationAssertion( "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( "directly negatively regulates (process to process)") -AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "directly negatively regulates") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (enables subfunction) AnnotationAssertion( "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P.") -AnnotationAssertion( ) -AnnotationAssertion( "2018-01-25T23:20:13Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "enables subfunction") SubObjectPropertyOf( ) # Object Property: (acts upstream of or within, positive effect) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-01-26T23:49:30Z"^^xsd:dateTime) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of or within, positive effect") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect"^^xsd:anyURI) SubObjectPropertyOf( ) # Object Property: (acts upstream of or within, negative effect) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-01-26T23:49:51Z"^^xsd:dateTime) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of or within, negative effect") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect"^^xsd:anyURI) SubObjectPropertyOf( ) # Object Property: (acts upstream of, positive effect) AnnotationAssertion( "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-01-26T23:53:14Z"^^xsd:dateTime) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of, positive effect") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (acts upstream of, negative effect) AnnotationAssertion( "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-01-26T23:53:22Z"^^xsd:dateTime) AnnotationAssertion( ) AnnotationAssertion(rdfs:label "acts upstream of, negative effect") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect"^^xsd:anyURI) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (causally upstream of or within, negative effect) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-03-13T23:55:05Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "causally upstream of or within, negative effect") -AnnotationAssertion(rdfs:seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect"^^xsd:anyURI) SubObjectPropertyOf( ) # Object Property: (causally upstream of or within, positive effect) -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "2018-03-13T23:55:19Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "causally upstream of or within, positive effect") -AnnotationAssertion(rdfs:seeAlso ) SubObjectPropertyOf( ) # Object Property: (regulates activity of) AnnotationAssertion( "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B.") -AnnotationAssertion( ) AnnotationAssertion(rdfs:label "regulates activity of") SubObjectPropertyOf( ) ObjectPropertyDomain( ) @@ -2519,29 +2059,19 @@ ObjectPropertyRange( (indirectly causally upstream of) AnnotationAssertion( "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q.") -AnnotationAssertion( ) -AnnotationAssertion( "2022-09-26T06:07:17Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "indirectly causally upstream of"@en) SubObjectPropertyOf( ) # Object Property: (indirectly regulates) AnnotationAssertion( "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q.") -AnnotationAssertion( ) -AnnotationAssertion( "2022-09-26T06:08:01Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "indirectly regulates"@en) SubObjectPropertyOf( ) SubObjectPropertyOf( ) # Object Property: (device utilizes material) -AnnotationAssertion( "A diagnostic testing device utilizes a specimen.") AnnotationAssertion( "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y.") -AnnotationAssertion( ) -AnnotationAssertion( ) -AnnotationAssertion( "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input.") -AnnotationAssertion( "See github ticket https://github.com/oborel/obo-relations/issues/497") -AnnotationAssertion( "2021-11-08T12:00:00Z"^^xsd:dateTime) AnnotationAssertion( "utilizes") AnnotationAssertion(rdfs:label "device utilizes material"@en) @@ -2596,7 +2126,6 @@ AnnotationAssertion(rdfs:label "ind SubClassOf( ) SubClassOf( ObjectAllValuesFrom( )) DisjointClasses( ) -DisjointClasses( ) # Class: (process) @@ -2632,7 +2161,6 @@ AnnotationAssertion(rdfs:comment "A AnnotationAssertion(rdfs:label "specifically dependent continuant"@en) SubClassOf( ) SubClassOf( ObjectAllValuesFrom( )) -DisjointClasses( ) # Class: (role) @@ -2640,14 +2168,6 @@ AnnotationAssertion( "role"@en) SubClassOf( ) -# Class: (generically dependent continuant) - -AnnotationAssertion( "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en) -AnnotationAssertion(rdfs:comment "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time."@en) -AnnotationAssertion(rdfs:label "generically dependent continuant"@en) -SubClassOf( ) -SubClassOf( ObjectAllValuesFrom( )) - # Class: (function) AnnotationAssertion(rdfs:label "function"@en) @@ -2662,56 +2182,20 @@ SubClassOf( (2-naphthol) AnnotationAssertion( "A naphthol carrying a hydroxy group at position 2.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H8O") -AnnotationAssertion( "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H") -AnnotationAssertion( "JWAZRIHNYRIHIV-UHFFFAOYSA-N") -AnnotationAssertion( "144.173") -AnnotationAssertion( "144.05751") -AnnotationAssertion( "OC1=CC2=CC=CC=C2C=C1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:742134") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:135-19-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:135-19-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:135-19-3") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3370") AnnotationAssertion( "FooDB:FDB000877") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:27395") AnnotationAssertion( "HMDB:HMDB0012322") AnnotationAssertion( "KEGG:C11713") AnnotationAssertion( "MetaCyc:CPD-8131") AnnotationAssertion( "PDBeChem:03V") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:13386410") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14751800") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18515997") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18856458") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20260560") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22069470") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22740618") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23344974") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29987264") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30572877") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30828382") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32206945") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33862438") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34033865") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:742134") AnnotationAssertion( "Wikipedia:2-Naphthol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2-Naphthol") AnnotationAssertion(Annotation( "UniProt") "2-naphthol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "naphthalen-2-ol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2-Naftol") AnnotationAssertion(Annotation( "HMDB") "2-hydroxynaphthalene") AnnotationAssertion(Annotation( "ChemIDplus") "2-naftolo") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2-naphthalenol") AnnotationAssertion(Annotation( "ChemIDplus") "2-naphtol") -AnnotationAssertion(Annotation( "HMDB") Annotation( ) "Antioxygene BN") -AnnotationAssertion(Annotation( "HMDB") Annotation( ) "Azogen Developer A") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "C.I. Azoic Coupling Component 1") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "C.I. Developer 5") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer A") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer AMS") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Developer BN") AnnotationAssertion(Annotation( "ChemIDplus") "Isonaphthol") AnnotationAssertion(Annotation( "ChemIDplus") "beta-Naftol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "beta-Naphthol") @@ -2736,14 +2220,9 @@ SubClassOf( ObjectSomeValuesFrom( (electron) AnnotationAssertion( "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.") -AnnotationAssertion( "-1") -AnnotationAssertion( "0.000548579903") -AnnotationAssertion( "0.0") AnnotationAssertion( "KEGG:C05359") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21614077") AnnotationAssertion( "Wikipedia:Electron") AnnotationAssertion(Annotation( "ChEBI") "electron") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "electron") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "electron") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Elektron") @@ -2772,11 +2251,6 @@ SubClassOf( (1,4-benzoquinones) AnnotationAssertion( "Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6O2R4") -AnnotationAssertion( "104.063") -AnnotationAssertion( "103.98983") -AnnotationAssertion( "O=C1C(*)=C(*)C(=O)C(*)=C1*") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a quinone") AnnotationAssertion(Annotation( "ChEBI") "p-benzoquinones") @@ -2803,11 +2277,6 @@ SubClassOf( (alkanesulfonate oxoanion) AnnotationAssertion( "An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CH2O3SR") -AnnotationAssertion( "94.091") -AnnotationAssertion( "93.97246") -AnnotationAssertion( "C(S([O-])(=O)=O)*") AnnotationAssertion( "CHEBI:22318") AnnotationAssertion( "MetaCyc:Alkanesulfonates") AnnotationAssertion( "chebi_ontology") @@ -2822,7 +2291,6 @@ SubClassOf( (glycol) AnnotationAssertion( "A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "glycols") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Glykol") AnnotationAssertion( "CHEBI:13643") @@ -2833,7 +2301,6 @@ SubClassOf( (pro-agent) AnnotationAssertion( "A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26449612") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "pro-agents") AnnotationAssertion(Annotation( "ChEBI") "proagent") @@ -2858,11 +2325,6 @@ SubClassOf( (tertiary ammonium ion) AnnotationAssertion( "An organic cation obtained by protonation of the amino group of any tertiary amino compound.") -AnnotationAssertion( "+1") -AnnotationAssertion( "HNR3") -AnnotationAssertion( "15.015") -AnnotationAssertion( "15.01090") -AnnotationAssertion( "[NH+](*)(*)*") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a tertiary amine") AnnotationAssertion(Annotation( "ChEBI") "tertiary amine(1+)") @@ -2876,9 +2338,6 @@ SubClassOf( ObjectSomeValuesFrom( (endocrine disruptor) AnnotationAssertion( "Any compound that can disrupt the functions of the endocrine (hormone) system") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:27929035") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28356401") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28526231") AnnotationAssertion( "Wikipedia:Endocrine_disruptor") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "endocrine disrupting chemical") @@ -2951,17 +2410,6 @@ SubClassOf( (carbamate) -AnnotationAssertion( "-1") -AnnotationAssertion( "CH2NO2") -AnnotationAssertion( "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1") -AnnotationAssertion( "KXDHJXZQYSOELW-UHFFFAOYSA-M") -AnnotationAssertion( "60.03212") -AnnotationAssertion( "60.00910") -AnnotationAssertion( "NC([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903503") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:302-11-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:239604") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamate") AnnotationAssertion(Annotation( "UniProt") "carbamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Carbamat") @@ -2989,13 +2437,7 @@ SubClassOf( (phenolic donor) AnnotationAssertion( "Any phenol that acts as an electron donor.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H5OR") -AnnotationAssertion( "93.104") -AnnotationAssertion( "93.03404") -AnnotationAssertion( "OC1=CC=C([*])C=C1") AnnotationAssertion( "MetaCyc:Phenolic-Donors") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16098794") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a phenolic donor") AnnotationAssertion(Annotation( "ChEBI") "phenolic donors") @@ -3008,13 +2450,6 @@ SubClassOf( ObjectSomeValuesFrom( (4'-methoxyflavanones) AnnotationAssertion( "Any methoxyflavanone having a methoxy substituent located at position 4'.") -AnnotationAssertion( "0") -AnnotationAssertion( "C16H5O3R9") -AnnotationAssertion( "245.210") -AnnotationAssertion( "245.02387") -AnnotationAssertion( "C1(=C(C(=C(C2=C1OC(C(C2=O)*)C3=C(C(=C(C(=C3*)*)OC)*)*)*)*)*)*") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:4-Methoxyflavanones") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a 4'-methoxyflavanone") AnnotationAssertion( "CHEBI:140332") @@ -3025,16 +2460,7 @@ SubClassOf( (glutamate(1-)) AnnotationAssertion( "An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group") -AnnotationAssertion( "-1") -AnnotationAssertion( "C5H8NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1") -AnnotationAssertion( "WHUUTDBJXJRKMK-UHFFFAOYSA-M") -AnnotationAssertion( "146.12136") -AnnotationAssertion( "146.04588") -AnnotationAssertion( "[NH3+]C(CCC([O-])=O)C([O-])=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:327908") AnnotationAssertion(Annotation( "JCBN") "glutamate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen glutamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "2-ammoniopentanedioate") AnnotationAssertion(Annotation( "UniProt") "glutamate") @@ -3060,7 +2486,6 @@ SubClassOf( (electron donor) AnnotationAssertion( "A molecular entity that can transfer an electron to another molecular entity.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "electron donor") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Elektronendonator") AnnotationAssertion(Annotation( "IUPAC") "donneur d'electron") @@ -3072,15 +2497,8 @@ SubClassOf( (xanthine) AnnotationAssertion( "A purine nucleobase found in humans and other organisms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4O2") -AnnotationAssertion( "152.111") -AnnotationAssertion( "152.03343") AnnotationAssertion( "ECMDB:ECMDB00292") AnnotationAssertion( "KNApSAcK:C00019660") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1557408") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24629268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9007687") AnnotationAssertion( "YMDB:YMDB00263") AnnotationAssertion(Annotation( "ChEBI") "xanthine") AnnotationAssertion( "chebi_ontology") @@ -3117,31 +2535,15 @@ SubClassOf( (cysteine) AnnotationAssertion( "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H7NO2S") -AnnotationAssertion( "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)") -AnnotationAssertion( "XUJNEKJLAYXESH-UHFFFAOYSA-N") -AnnotationAssertion( "121.15922") -AnnotationAssertion( "121.01975") -AnnotationAssertion( "NC(CS)C(O)=O") AnnotationAssertion( "CHEBI:14061") AnnotationAssertion( "CHEBI:23508") AnnotationAssertion( "CHEBI:4050") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1721406") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:3374-22-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:3374-22-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:3374-22-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2933") AnnotationAssertion( "KEGG:C00736") AnnotationAssertion( "KNApSAcK:C00001351") AnnotationAssertion( "KNApSAcK:C00007323") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25181601") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1721406") AnnotationAssertion( "Wikipedia:Cysteine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cysteine") AnnotationAssertion(Annotation( "ChEBI") "cysteine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cysteine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2-Amino-3-mercaptopropionic acid") AnnotationAssertion(Annotation( "JCBN") "2-amino-3-mercaptopropanoic acid") @@ -3170,8 +2572,6 @@ AnnotationAssertion( "CHEBI:13723") AnnotationAssertion( "CHEBI:22220") AnnotationAssertion( "CHEBI:2445") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1402-38-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:1402-38-6") AnnotationAssertion( "KEGG:C01775") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Actinomycin") AnnotationAssertion( "chebi_ontology") @@ -3184,20 +2584,11 @@ SubClassOf( (hydron) AnnotationAssertion( "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes).") -AnnotationAssertion( "+1") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/p+1") -AnnotationAssertion( "GPRLSGONYQIRFK-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.008") -AnnotationAssertion( "[H+]") AnnotationAssertion( "CHEBI:10744") AnnotationAssertion( "CHEBI:13357") AnnotationAssertion( "CHEBI:5584") AnnotationAssertion( "KEGG:C00080") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydron") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydron") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "H(+)") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "H+") @@ -3212,11 +2603,6 @@ SubClassOf( (L-alpha-amino acid) AnnotationAssertion( "Any alpha-amino acid having L-configuration at the alpha-carbon.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.05870") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "N[C@@H]([*])C(O)=O") AnnotationAssertion( "CHEBI:13072") AnnotationAssertion( "CHEBI:13243") AnnotationAssertion( "CHEBI:13797") @@ -3224,7 +2610,6 @@ AnnotationAssertion( "CHEBI:6175") AnnotationAssertion( "KEGG:C00151") AnnotationAssertion(Annotation( "IUPAC") "L-alpha-amino acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-alpha-amino acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "L-2-Amino acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "L-Amino acid") @@ -3239,28 +2624,12 @@ SubClassOf( ObjectSomeValuesFrom( (formate) AnnotationAssertion( "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CHO2") -AnnotationAssertion( "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1") -AnnotationAssertion( "BDAGIHXWWSANSR-UHFFFAOYSA-M") -AnnotationAssertion( "45.01744") -AnnotationAssertion( "44.99820") -AnnotationAssertion( "[H]C([O-])=O") AnnotationAssertion( "CHEBI:14276") AnnotationAssertion( "CHEBI:24081") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1901205") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:71-47-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:71-47-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1006") AnnotationAssertion( "HMDB:HMDB0000142") AnnotationAssertion( "KEGG:C00058") AnnotationAssertion( "MetaCyc:FORMATE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17190852") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3946945") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1901205") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0106") AnnotationAssertion( "Wikipedia:Formate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "formate") AnnotationAssertion(Annotation( "UniProt") "formate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "HCO2 anion") @@ -3281,11 +2650,6 @@ SubClassOf( ObjectSomeValuesFrom( (N-acyl-D-amino acid) AnnotationAssertion( "Any N-acyl-amino acid in which the amino acid moiety has D configuration.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H3NO3R2") -AnnotationAssertion( "101.06080") -AnnotationAssertion( "101.01129") -AnnotationAssertion( "OC(=O)[C@@H]([*])NC([*])=O") AnnotationAssertion( "CHEBI:12474") AnnotationAssertion( "CHEBI:21631") AnnotationAssertion( "CHEBI:7224") @@ -3301,30 +2665,15 @@ SubClassOf( ObjectSomeValuesFrom( (D-glutamic acid) AnnotationAssertion( "An optically active form of glutamic acid having D-configuration.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H9NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-GSVOUGTGSA-N") -AnnotationAssertion( "147.12930") -AnnotationAssertion( "147.05316") -AnnotationAssertion( "N[C@H](CCC(O)=O)C(O)=O") AnnotationAssertion( "CHEBI:21023") AnnotationAssertion( "CHEBI:4183") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1723800") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:6893-26-1") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:6893-26-1") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:6893-26-1") AnnotationAssertion( "DrugBank:DB02517") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:201189") AnnotationAssertion( "HMDB:HMDB0003339") AnnotationAssertion( "KEGG:C00217") AnnotationAssertion( "KNApSAcK:C00019577") AnnotationAssertion( "MetaCyc:D-GLT") AnnotationAssertion( "PDBeChem:DGL") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1723800") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2R)-2-aminopentanedioic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-Glutamic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-glutamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(R)-2-aminopentanedioic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-2-Aminoglutaric acid") @@ -3345,8 +2694,6 @@ SubClassOf( ObjectSomeValuesFrom( (polynucleotide) AnnotationAssertion( "A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues.") -AnnotationAssertion( "0") -AnnotationAssertion( "(C5H8O6PR)n.C10H17O10PR2") AnnotationAssertion( "CHEBI:13672") AnnotationAssertion( "CHEBI:14859") AnnotationAssertion( "CHEBI:8312") @@ -3364,24 +2711,11 @@ SubClassOf( ObjectSomeValuesFrom( (L-glutamic acid) AnnotationAssertion( "An optically active form of glutamic acid having L-configuration.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H9NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-VKHMYHEASA-N") -AnnotationAssertion( "147.12930") -AnnotationAssertion( "147.05316") -AnnotationAssertion( "N[C@@H](CCC(O)=O)C(O)=O") AnnotationAssertion( "CHEBI:21304") AnnotationAssertion( "CHEBI:42825") AnnotationAssertion( "CHEBI:6224") AnnotationAssertion( "BPDB:2297") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1723801") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:56-86-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:56-86-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:56-86-0") AnnotationAssertion( "DrugBank:DB00142") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1310") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3502") AnnotationAssertion( "HMDB:HMDB0000148") AnnotationAssertion( "KEGG:C00025") AnnotationAssertion( "KEGG:D00007") @@ -3389,18 +2723,8 @@ AnnotationAssertion( "LINCS:LSM-36375") AnnotationAssertion( "MetaCyc:GLT") AnnotationAssertion( "PDBeChem:GLU_LFOH") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15739367") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15930465") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16719819") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16892196") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19581495") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22219301") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22735334") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1723801") AnnotationAssertion( "Wikipedia:L-Glutamic_Acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-2-aminopentanedioic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "L-Glutamic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-glutamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(S)-2-aminopentanedioic acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(S)-glutamic acid") @@ -3411,10 +2735,6 @@ AnnotationAssertion(Annotation( "ChEBI") "L-Glu") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "L-Glutaminic acid") AnnotationAssertion(Annotation( "ChEBI") "L-Glutaminsaeure") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "acide glutamique") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "acido glutamico") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "acidum glutamicum") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "glutamic acid") AnnotationAssertion( "CHEBI:16015") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "L-glutamic acid") @@ -3434,15 +2754,9 @@ SubClassOf( ObjectSomeValuesFrom( (halide anion) AnnotationAssertion( "A monoatomic monoanion resulting from the addition of an electron to any halogen atom.") -AnnotationAssertion( "-1") -AnnotationAssertion( "X") -AnnotationAssertion( "0.0") -AnnotationAssertion( "0.0") -AnnotationAssertion( "[*-]") AnnotationAssertion( "CHEBI:14384") AnnotationAssertion( "CHEBI:5605") AnnotationAssertion( "KEGG:C00462") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halide ions") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HX") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Halide") @@ -3460,13 +2774,6 @@ SubClassOf( (ammonia) AnnotationAssertion( "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "H3N") -AnnotationAssertion( "InChI=1S/H3N/h1H3") -AnnotationAssertion( "QGZKDVFQNNGYKY-UHFFFAOYSA-N") -AnnotationAssertion( "17.03056") -AnnotationAssertion( "17.02655") -AnnotationAssertion( "[H]N([H])[H]") AnnotationAssertion( "CHEBI:13405") AnnotationAssertion( "CHEBI:13406") AnnotationAssertion( "CHEBI:13407") @@ -3476,12 +2783,6 @@ AnnotationAssertion( "CHEBI:44284") AnnotationAssertion( "CHEBI:44404") AnnotationAssertion( "CHEBI:7434") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587154") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-41-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-41-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-41-7") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4625") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:79") AnnotationAssertion( "HMDB:HMDB0000051") AnnotationAssertion( "KEGG:C00014") AnnotationAssertion( "KEGG:D02916") @@ -3489,47 +2790,9 @@ AnnotationAssertion( "MetaCyc:AMMONIA") AnnotationAssertion( "MolBase:930") AnnotationAssertion( "PDBeChem:NH3") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:110589") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11139349") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11540049") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11746427") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11783653") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:13753780") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14663195") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15092448") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15094021") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15554424") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15969015") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16008360") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16050680") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16348008") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16349403") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16614889") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16664306") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16842901") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17025297") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17569513") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17737668") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18670398") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22002069") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22081570") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22088435") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22100291") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22130175") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22150211") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22240068") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22290316") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22342082") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22385337") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22443779") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22560242") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3587154") AnnotationAssertion( "Wikipedia:Ammonia") AnnotationAssertion(Annotation( "PDBeChem") "AMMONIA") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ammonia") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ammonia") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Ammoniak") AnnotationAssertion(Annotation( "IUPAC") "NH3") @@ -3558,64 +2821,17 @@ SubClassOf( ObjectSomeValuesFrom( (sulfate) AnnotationAssertion( "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.") -AnnotationAssertion( "-2") -AnnotationAssertion( "O4S") -AnnotationAssertion( "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2") -AnnotationAssertion( "QAOWNCQODCNURD-UHFFFAOYSA-L") -AnnotationAssertion( "96.06360") -AnnotationAssertion( "95.95283") -AnnotationAssertion( "[O-]S([O-])(=O)=O") AnnotationAssertion( "CHEBI:15135") AnnotationAssertion( "CHEBI:45687") AnnotationAssertion( "CHEBI:9335") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3648446") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14808-79-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14808-79-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2120") AnnotationAssertion( "HMDB:HMDB0001448") AnnotationAssertion( "KEGG:C00059") AnnotationAssertion( "KEGG:D05963") AnnotationAssertion( "MetaCyc:SULFATE") AnnotationAssertion( "PDBeChem:SO4") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11200094") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11452993") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11581495") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11798107") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12166931") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12668033") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14597181") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15093386") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15984785") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16186560") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16345535") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16347366") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16348007") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16483812") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16534979") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16656509") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16742508") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16742518") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17120760") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17420092") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17709180") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18398178") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18815700") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18846414") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19047345") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19244483") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19544990") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19628332") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19812358") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30398859") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3648446") AnnotationAssertion( "Wikipedia:Sulfate") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfate") AnnotationAssertion(Annotation( "UniProt") "sulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxosulfate(VI)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "SO4(2-)") AnnotationAssertion(Annotation( "PDBeChem") "SULFATE ION") @@ -3641,41 +2857,23 @@ SubClassOf( ObjectSomeValuesFrom( (urea) AnnotationAssertion( "A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O).") -AnnotationAssertion( "0") -AnnotationAssertion( "CH4N2O") -AnnotationAssertion( "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)") -AnnotationAssertion( "XSQUKJJJFZCRTK-UHFFFAOYSA-N") -AnnotationAssertion( "60.05534") -AnnotationAssertion( "60.03236") -AnnotationAssertion( "NC(N)=O") AnnotationAssertion( "CHEBI:15292") AnnotationAssertion( "CHEBI:27218") AnnotationAssertion( "CHEBI:46379") AnnotationAssertion( "CHEBI:9888") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:635724") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:57-13-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:57-13-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:57-13-6") AnnotationAssertion( "DrugBank:DB03904") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4264") AnnotationAssertion( "ECMDB:ECMDB04172") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1378") AnnotationAssertion( "HMDB:HMDB0000294") AnnotationAssertion( "KEGG:C00086") AnnotationAssertion( "KEGG:D00023") AnnotationAssertion( "KNApSAcK:C00007314") AnnotationAssertion( "MetaCyc:UREA") AnnotationAssertion( "PDBeChem:URE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18037357") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22770225") AnnotationAssertion( "PPDB:1728") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:635724") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0165") AnnotationAssertion( "Wikipedia:Urea") AnnotationAssertion( "YMDB:YMDB00003") AnnotationAssertion(Annotation( "PDBeChem") "UREA") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Urea") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "urea") AnnotationAssertion(Annotation( "UniProt") "urea") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PPDB") "1728") @@ -3684,7 +2882,6 @@ AnnotationAssertion(Annotation( "ChEBI") "H2NC(O)NH2") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Harnstoff") AnnotationAssertion(Annotation( "ChEBI") "Karbamid") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "carbamide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "carbonyldiamide") AnnotationAssertion(Annotation( "IUPAC") "ur") AnnotationAssertion(Annotation( "ChEBI") "uree") @@ -3706,34 +2903,18 @@ SubClassOf( ObjectSomeValuesFrom( (guanine) AnnotationAssertion( "A 2-aminopurine carrying a 6-oxo substituent.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H5N5O") -AnnotationAssertion( "InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)") -AnnotationAssertion( "UYTPUPDQBNUYGX-UHFFFAOYSA-N") -AnnotationAssertion( "151.126") -AnnotationAssertion( "151.04941") -AnnotationAssertion( "C12=C(N=C(NC1=O)N)NC=N2") AnnotationAssertion( "CHEBI:14371") AnnotationAssertion( "CHEBI:14372") AnnotationAssertion( "CHEBI:24443") AnnotationAssertion( "CHEBI:42948") AnnotationAssertion( "CHEBI:5563") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:147911") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:73-40-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:73-40-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:73-40-5") AnnotationAssertion( "DrugBank:DB02377") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:431879") AnnotationAssertion( "HMDB:HMDB0000132") AnnotationAssertion( "KEGG:C00242") AnnotationAssertion( "KNApSAcK:C00001501") AnnotationAssertion( "MetaCyc:GUANINE") AnnotationAssertion( "PDBeChem:GUN") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22770225") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8070089") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:147911") AnnotationAssertion( "Wikipedia:Guanine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-amino-1,9-dihydro-6H-purin-6-one") AnnotationAssertion(Annotation( "PDBeChem") "GUANINE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Guanine") AnnotationAssertion(Annotation( "UniProt") "guanine") @@ -3758,15 +2939,10 @@ SubClassOf( ObjectSomeValuesFrom( (organic sulfide) AnnotationAssertion( "Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers.") -AnnotationAssertion( "0") -AnnotationAssertion( "SR2") -AnnotationAssertion( "32.066") -AnnotationAssertion( "31.97207") AnnotationAssertion( "CHEBI:13694") AnnotationAssertion( "CHEBI:26960") AnnotationAssertion( "CHEBI:9340") AnnotationAssertion( "KEGG:C00297") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "RSR") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfide") @@ -3782,42 +2958,19 @@ SubClassOf( (naphthalene) AnnotationAssertion( "An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H8") -AnnotationAssertion( "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H") -AnnotationAssertion( "UFWIBTONFRDIAS-UHFFFAOYSA-N") -AnnotationAssertion( "128.17052") -AnnotationAssertion( "128.06260") -AnnotationAssertion( "c1ccc2ccccc2c1") AnnotationAssertion( "CHEBI:14638") AnnotationAssertion( "CHEBI:25469") AnnotationAssertion( "CHEBI:44619") AnnotationAssertion( "CHEBI:7472") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1421310") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:91-20-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:91-20-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:91-20-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3347") AnnotationAssertion( "HMDB:HMDB0029751") AnnotationAssertion( "KEGG:C00829") AnnotationAssertion( "KNApSAcK:C00001259") AnnotationAssertion( "MetaCyc:NAPHTHALENE") AnnotationAssertion( "PDBeChem:NPY") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10814889") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11202734") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16220979") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16699520") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17850896") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26875834") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26895256") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:27439360") AnnotationAssertion( "PPDB:1312") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1421310") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0333") AnnotationAssertion( "Wikipedia:Naphthalene") AnnotationAssertion(Annotation( "PDBeChem") "NAPHTHALENE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Naphthalene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "naphthalene") AnnotationAssertion(Annotation( "UniProt") "naphthalene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Naphthalen") @@ -3841,45 +2994,20 @@ SubClassOf( ObjectSomeValuesFrom( (1,4-benzoquinone) AnnotationAssertion( "The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H4O2") -AnnotationAssertion( "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H") -AnnotationAssertion( "AZQWKYJCGOJGHM-UHFFFAOYSA-N") -AnnotationAssertion( "108.09480") -AnnotationAssertion( "108.02113") -AnnotationAssertion( "O=C1C=CC(=O)C=C1") AnnotationAssertion( "CHEBI:12837") AnnotationAssertion( "CHEBI:15009") AnnotationAssertion( "CHEBI:18927") AnnotationAssertion( "CHEBI:49820") AnnotationAssertion( "CHEBI:8730") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:773967") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:106-51-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:106-51-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:106-51-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2741") AnnotationAssertion( "HMDB:HMDB0003364") AnnotationAssertion( "KEGG:C00472") AnnotationAssertion( "KEGG:C15602") AnnotationAssertion( "MetaCyc:P-BENZOQUINONE") AnnotationAssertion( "PDBeChem:PLQ") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10462055") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11304127") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1395635") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15182198") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15618234") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15920754") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16484134") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24023812") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25057895") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9118901") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:773967") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0261") AnnotationAssertion( "Wikipedia:1,4-Benzoquinone") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,4-Benzoquinone") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,4-benzoquinone") AnnotationAssertion(Annotation( "UniProt") "1,4-benzoquinone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclohexa-2,5-diene-1,4-dione") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "1,4-Benzochinon") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2,5-Cyclohexadiene-1,4-dione") @@ -3905,8 +3033,6 @@ AnnotationAssertion( "CHEBI:23008") AnnotationAssertion( "CHEBI:9318") AnnotationAssertion( "Wikipedia:Carbohydrate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbohydrate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbohydrates") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Kohlenhydrat") AnnotationAssertion(Annotation( "ChEBI") "Kohlenhydrate") @@ -3929,14 +3055,11 @@ SubClassOf( (peptide) AnnotationAssertion( "Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.") -AnnotationAssertion( "0") -AnnotationAssertion( "(C2H2NOR)nC2H3NOR") AnnotationAssertion( "CHEBI:14753") AnnotationAssertion( "CHEBI:25906") AnnotationAssertion( "CHEBI:7990") AnnotationAssertion( "KEGG:C00012") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Peptide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "peptides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Peptid") AnnotationAssertion(Annotation( "ChEBI") "peptido") @@ -3952,51 +3075,17 @@ SubClassOf( ObjectSomeValuesFrom( (benzene) AnnotationAssertion( "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H6") -AnnotationAssertion( "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H") -AnnotationAssertion( "UHOVQNZJYSORNB-UHFFFAOYSA-N") -AnnotationAssertion( "78.11184") -AnnotationAssertion( "78.04695") -AnnotationAssertion( "c1ccccc1") AnnotationAssertion( "CHEBI:13876") AnnotationAssertion( "CHEBI:22703") AnnotationAssertion( "CHEBI:3025") AnnotationAssertion( "CHEBI:41187") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:969212") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:71-43-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:71-43-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:71-43-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1671") AnnotationAssertion( "HMDB:HMDB0001505") AnnotationAssertion( "KEGG:C01407") AnnotationAssertion( "PDBeChem:BNZ") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11684179") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11993966") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12857942") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14677922") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15468289") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15935818") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16161967") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17373369") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18072742") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18407866") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18409691") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18836923") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19228219") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21325737") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23088855") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23222815") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23534829") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6353911") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8124204") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:969212") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0142") AnnotationAssertion( "Wikipedia:Benzene") AnnotationAssertion(Annotation( "PDBeChem") "BENZENE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Benzene") AnnotationAssertion(Annotation( "ChEBI") "benzene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzene") AnnotationAssertion(Annotation( "UniProt") "benzene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "Benzen") @@ -4024,18 +3113,12 @@ SubClassOf( ObjectSomeValuesFrom( (D-alpha-amino acid) -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.05870") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "N[C@H]([*])C(O)=O") AnnotationAssertion( "CHEBI:12909") AnnotationAssertion( "CHEBI:13625") AnnotationAssertion( "CHEBI:20906") AnnotationAssertion( "CHEBI:4097") AnnotationAssertion( "KEGG:C00405") AnnotationAssertion(Annotation( "ChEBI") "D-alpha-amino acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-alpha-amino acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-Amino acid") AnnotationAssertion(Annotation( "ChEBI") "D-alpha-amino acids") @@ -4059,48 +3142,20 @@ SubClassOf( (formaldehyde) AnnotationAssertion( "An aldehyde resulting from the formal oxidation of methanol.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2O") -AnnotationAssertion( "InChI=1S/CH2O/c1-2/h1H2") -AnnotationAssertion( "WSFSSNUMVMOOMR-UHFFFAOYSA-N") -AnnotationAssertion( "30.02598") -AnnotationAssertion( "30.01056") -AnnotationAssertion( "[H]C([H])=O") AnnotationAssertion( "CHEBI:14274") AnnotationAssertion( "CHEBI:24077") AnnotationAssertion( "CHEBI:337763") AnnotationAssertion( "CHEBI:5142") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1209228") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-00-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:50-00-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:50-00-0") AnnotationAssertion( "DrugBank:DB03843") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3244") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:445") AnnotationAssertion( "HMDB:HMDB0001426") AnnotationAssertion( "KEGG:C00067") AnnotationAssertion( "KEGG:D00017") AnnotationAssertion( "MetaCyc:FORMALDEHYDE") AnnotationAssertion( "PDBeChem:FOR") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:110589") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12686735") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15091529") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16423181") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17618393") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18837732") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25042713") -AnnotationAssertion(Annotation( "ChEMBL") "PMID:7381846") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7548723") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7689168") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7896413") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9686972") AnnotationAssertion( "PPDB:359") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1209228") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0122") AnnotationAssertion( "Wikipedia:Formaldehyde") AnnotationAssertion(Annotation( "PDBeChem") "FORMALDEHYDE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Formaldehyde") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "formaldehyde") AnnotationAssertion(Annotation( "UniProt") "formaldehyde") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEMBL") "FORMALIN") @@ -4131,11 +3186,8 @@ AnnotationAssertion( "CHEBI:21123") AnnotationAssertion( "CHEBI:33698") AnnotationAssertion( "CHEBI:4291") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:9007-49-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:9007-49-2") AnnotationAssertion( "KEGG:C00039") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Deoxyribonucleic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "deoxyribonucleic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(Deoxyribonucleotide)m") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(Deoxyribonucleotide)n") @@ -4162,36 +3214,18 @@ SubClassOf( ObjectSomeValuesFrom( (D-phenylalanine) AnnotationAssertion( "The D-enantiomer of phenylalanine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-MRVPVSSYSA-N") -AnnotationAssertion( "165.18918") -AnnotationAssertion( "165.07898") -AnnotationAssertion( "N[C@H](Cc1ccccc1)C(O)=O") AnnotationAssertion( "CHEBI:13007") AnnotationAssertion( "CHEBI:21067") AnnotationAssertion( "CHEBI:42207") AnnotationAssertion( "CHEBI:4224") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2804068") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:673-06-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:673-06-3") AnnotationAssertion( "DrugBank:DB02556") AnnotationAssertion( "ECMDB:ECMDB20144") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:83219") AnnotationAssertion( "KEGG:C02265") AnnotationAssertion( "MetaCyc:CPD-216") AnnotationAssertion( "PDBeChem:DPN") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22382026") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22397264") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24464217") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7114516") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2804068") AnnotationAssertion( "YMDB:YMDB00995") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2R)-2-amino-3-phenylpropanoic acid") AnnotationAssertion(Annotation( "PDBeChem") "D-PHENYLALANINE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-Phenylalanine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-phenylalanine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "D-Phe") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "D-alpha-Amino-beta-phenylpropionic acid") @@ -4209,25 +3243,13 @@ SubClassOf( ObjectSomeValuesFrom( (fluoride) -AnnotationAssertion( "-1") -AnnotationAssertion( "F") -AnnotationAssertion( "InChI=1S/FH/h1H/p-1") -AnnotationAssertion( "KRHYYFGTRYWZRS-UHFFFAOYSA-M") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "18.99895") -AnnotationAssertion( "[F-]") AnnotationAssertion( "CHEBI:14271") AnnotationAssertion( "CHEBI:49593") AnnotationAssertion( "CHEBI:5113") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:16984-48-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:16984-48-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14905") AnnotationAssertion( "KEGG:C00742") AnnotationAssertion( "PDBeChem:F") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoride") AnnotationAssertion(Annotation( "UniProt") "fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoride(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "F(-)") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "F-") @@ -4244,11 +3266,6 @@ SubClassOf( ObjectSomeValuesFrom( (ketone) AnnotationAssertion( "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).") -AnnotationAssertion( "0") -AnnotationAssertion( "COR2") -AnnotationAssertion( "28.010") -AnnotationAssertion( "27.99491") -AnnotationAssertion( "[*]C([*])=O") AnnotationAssertion( "CHEBI:13427") AnnotationAssertion( "CHEBI:13646") AnnotationAssertion( "CHEBI:24974") @@ -4257,7 +3274,6 @@ AnnotationAssertion( "KEGG:C01450") AnnotationAssertion( "Wikipedia:Ketone") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ketone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ketones") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Keton") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "R-CO-R'") @@ -4287,26 +3303,10 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogensulfite) -AnnotationAssertion( "-1") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-M") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96519") -AnnotationAssertion( "OS([O-])=O") AnnotationAssertion( "CHEBI:13367") AnnotationAssertion( "CHEBI:5598") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:15181-46-1") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:15181-46-1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1455") AnnotationAssertion( "KEGG:C11481") AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(trioxidosulfate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogensulfite(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxosulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxosulfate(IV)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidosulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "monohydrogentrioxosulfate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Bisulfite") AnnotationAssertion(Annotation( "IUPAC") "HSO3(-)") @@ -4330,11 +3330,6 @@ SubClassOf( ObjectSomeValuesFrom( (glycol ether) AnnotationAssertion( "A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28650840") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29536623") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30471335") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:31518935") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32172156") AnnotationAssertion( "Wikipedia:Glycol_ethers") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "glycol ethers") @@ -4348,21 +3343,10 @@ SubClassOf( ObjectSomeValuesFrom( (7H-purine) AnnotationAssertion( "The 7H-tautomer of purine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4") -AnnotationAssertion( "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)") -AnnotationAssertion( "KDCGOANMDULRCW-UHFFFAOYSA-N") -AnnotationAssertion( "120.11222") -AnnotationAssertion( "120.04360") -AnnotationAssertion( "c1ncc2[nH]cnc2n1") AnnotationAssertion( "CHEBI:14968") AnnotationAssertion( "CHEBI:8639") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3200") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:601779") AnnotationAssertion( "HMDB:HMDB0001366") AnnotationAssertion( "KEGG:C15587") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3200") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "7H-purine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Purine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Purine base") @@ -4377,53 +3361,23 @@ SubClassOf( ObjectSomeValuesFrom( (L-phenylalanine) AnnotationAssertion( "The L-enantiomer of phenylalanine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-QMMMGPOBSA-N") -AnnotationAssertion( "165.18918") -AnnotationAssertion( "165.07898") -AnnotationAssertion( "N[C@@H](Cc1ccccc1)C(O)=O") AnnotationAssertion( "CHEBI:13151") AnnotationAssertion( "CHEBI:21370") AnnotationAssertion( "CHEBI:44851") AnnotationAssertion( "CHEBI:44885") AnnotationAssertion( "CHEBI:45079") AnnotationAssertion( "CHEBI:6282") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1910408") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:63-91-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:63-91-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:63-91-2") AnnotationAssertion( "DrugBank:DB00120") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2144") AnnotationAssertion( "ECMDB:ECMDB00159") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:50837") AnnotationAssertion( "HMDB:HMDB0000159") AnnotationAssertion( "KEGG:C00079") AnnotationAssertion( "KEGG:D00021") AnnotationAssertion( "KNApSAcK:C00001386") AnnotationAssertion( "MetaCyc:PHE") AnnotationAssertion( "PDBeChem:PHE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:13945318") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16893175") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17784858") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21203787") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21956539") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22081386") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22112574") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22143120") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22209218") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22494897") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23836015") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24464217") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24733517") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24966042") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1910408") AnnotationAssertion( "Wikipedia:Phenylalanine") AnnotationAssertion( "YMDB:YMDB00304") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-2-amino-3-phenylpropanoic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "L-Phenylalanine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-phenylalanine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "HMDB") "(S)-2-Amino-3-phenylpropionic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "(S)-alpha-Amino-beta-phenylpropionic acid") @@ -4456,10 +3410,6 @@ SubClassOf( ObjectSomeValuesFrom( (ferroptosis inducer) AnnotationAssertion( "Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:31899616") -AnnotationAssertion(Annotation( "SUBMITTER") "PMID:32015325") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33167414") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34012798") AnnotationAssertion( "Wikipedia:Ferroptosis") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "ferroptosis inducers") @@ -4471,23 +3421,10 @@ SubClassOf( (sulfite) AnnotationAssertion( "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).") -AnnotationAssertion( "-2") -AnnotationAssertion( "O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-L") -AnnotationAssertion( "80.06420") -AnnotationAssertion( "79.95791") -AnnotationAssertion( "[O-]S([O-])=O") AnnotationAssertion( "CHEBI:15139") AnnotationAssertion( "CHEBI:45548") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14265-45-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1449") AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfite") AnnotationAssertion(Annotation( "UniProt") "sulfite") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxidosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfate(IV)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "SO3") AnnotationAssertion(Annotation( "IUPAC") "SO3(2-)") @@ -4505,36 +3442,20 @@ SubClassOf( ObjectSomeValuesFrom( (valeric acid) AnnotationAssertion( "A straight-chain saturated fatty acid containing five carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H10O2") -AnnotationAssertion( "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)") -AnnotationAssertion( "NQPDZGIKBAWPEJ-UHFFFAOYSA-N") -AnnotationAssertion( "102.13170") -AnnotationAssertion( "102.06808") -AnnotationAssertion( "CCCCC(O)=O") AnnotationAssertion( "CHEBI:113448") AnnotationAssertion( "CHEBI:27263") AnnotationAssertion( "CHEBI:27264") AnnotationAssertion( "CHEBI:43606") AnnotationAssertion( "CHEBI:44803") AnnotationAssertion( "CHEBI:7980") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:969454") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:109-52-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:109-52-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:109-52-4") AnnotationAssertion( "DrugBank:DB02406") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:26714") AnnotationAssertion( "HMDB:HMDB0000892") AnnotationAssertion( "KEGG:C00803") AnnotationAssertion( "KNApSAcK:C00001208") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMFA01010005") AnnotationAssertion( "PDBeChem:LEA") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20507156") AnnotationAssertion( "PPDB:3130") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:969454") AnnotationAssertion( "Wikipedia:Valeric_acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Valeric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pentanoic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-butanecarboxylic acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1-butanecarboxylic acid") @@ -4564,11 +3485,6 @@ SubClassOf( ObjectSomeValuesFrom( (aldehyde) AnnotationAssertion( "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHOR") -AnnotationAssertion( "29.01800") -AnnotationAssertion( "29.00274") -AnnotationAssertion( "[H]C([*])=O") AnnotationAssertion( "CHEBI:13432") AnnotationAssertion( "CHEBI:13753") AnnotationAssertion( "CHEBI:13805") @@ -4579,8 +3495,6 @@ AnnotationAssertion( "KEGG:C00071") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aldehyde") AnnotationAssertion(Annotation( "ChEBI") "aldehyde") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aldehyde") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aldehydes") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Aldehyd") AnnotationAssertion(Annotation( "IUPAC") "RC(=O)H") @@ -4599,41 +3513,17 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogencarbonate) AnnotationAssertion( "The carbon oxoanion resulting from the removal of a proton from carbonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CHO3") -AnnotationAssertion( "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1") -AnnotationAssertion( "BVKZGUZCCUSVTD-UHFFFAOYSA-M") -AnnotationAssertion( "61.01684") -AnnotationAssertion( "60.99312") -AnnotationAssertion( "OC([O-])=O") AnnotationAssertion( "CHEBI:13363") AnnotationAssertion( "CHEBI:22863") AnnotationAssertion( "CHEBI:40961") AnnotationAssertion( "CHEBI:5589") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903504") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:71-52-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49249") AnnotationAssertion( "HMDB:HMDB0000595") AnnotationAssertion( "KEGG:C00288") AnnotationAssertion( "MetaCyc:HCO3") AnnotationAssertion( "PDBeChem:BCT") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17215880") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17505962") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18439416") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28732801") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29150416") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29460248") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29466234") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:4208463") AnnotationAssertion( "Wikipedia:Bicarbonate") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogencarbonate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(trioxidocarbonate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogencarbonate") AnnotationAssertion(Annotation( "UniProt") "hydrogencarbonate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogencarbonate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxocarbonate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentrioxocarbonate(IV)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidocarbonate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acid carbonate") AnnotationAssertion(Annotation( "PDBeChem") "BICARBONATE ION") @@ -4657,54 +3547,20 @@ SubClassOf( ObjectSomeValuesFrom( (uracil) AnnotationAssertion( "A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H4N2O2") -AnnotationAssertion( "InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)") -AnnotationAssertion( "ISAKRJDGNUQOIC-UHFFFAOYSA-N") -AnnotationAssertion( "112.08684") -AnnotationAssertion( "112.02728") -AnnotationAssertion( "O=c1cc[nH]c(=O)[nH]1") AnnotationAssertion( "CHEBI:15288") AnnotationAssertion( "CHEBI:27210") AnnotationAssertion( "CHEBI:46375") AnnotationAssertion( "CHEBI:9882") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:606623") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:66-22-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:66-22-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:66-22-8") AnnotationAssertion( "DrugBank:DB03419") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2896") AnnotationAssertion( "HMDB:HMDB0000300") AnnotationAssertion( "KEGG:C00106") AnnotationAssertion( "KEGG:D00027") AnnotationAssertion( "KNApSAcK:C00001513") AnnotationAssertion( "MetaCyc:URACIL") AnnotationAssertion( "PDBeChem:URA") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11279060") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12855717") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15274295") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16834123") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18533995") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18815805") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19175333") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22020693") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22074393") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22120518") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22171528") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22237209") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22299724") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22356544") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22447672") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22483865") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22567906") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22685418") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3654008") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:606623") AnnotationAssertion( "Wikipedia:Uracil") AnnotationAssertion(Annotation( "PDBeChem") "URACIL") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Uracil") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pyrimidine-2,4(1H,3H)-dione") AnnotationAssertion(Annotation( "UniProt") "uracil") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2,4(1H,3H)-pyrimidinedione") @@ -4730,76 +3586,17 @@ SubClassOf( ObjectSomeValuesFrom( (toluene) AnnotationAssertion( "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.") -AnnotationAssertion( "0") -AnnotationAssertion( "C7H8") -AnnotationAssertion( "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3") -AnnotationAssertion( "YXFVVABEGXRONW-UHFFFAOYSA-N") -AnnotationAssertion( "92.13842") -AnnotationAssertion( "92.06260") -AnnotationAssertion( "Cc1ccccc1") AnnotationAssertion( "CHEBI:15248") AnnotationAssertion( "CHEBI:27022") AnnotationAssertion( "CHEBI:44023") AnnotationAssertion( "CHEBI:9624") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:635760") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:108-88-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:108-88-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:108-88-3") AnnotationAssertion( "DrugBank:DB01900") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2456") AnnotationAssertion( "KEGG:C01455") AnnotationAssertion( "PDBeChem:MBN") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11182169") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11314682") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11846266") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11991009") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12062755") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12213539") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12237258") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12784113") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12876426") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14512097") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14559343") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14605898") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15015825") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15019953") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15119846") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15193425") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15542760") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15567510") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15695158") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15796064") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16316648") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16348226") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16601996") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17145141") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17175136") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17497535") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17725881") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18397809") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18832024") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19261054") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19384711") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19429395") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19635754") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19765629") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19825861") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19928203") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19969016") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20347282") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20837561") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21430649") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21655021") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21731073") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21802510") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21840036") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:635760") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0114") AnnotationAssertion( "Wikipedia:Toluene") AnnotationAssertion(Annotation( "PDBeChem") "TOLUENE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Toluene") AnnotationAssertion(Annotation( "ChEBI") "toluene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "toluene") AnnotationAssertion(Annotation( "UniProt") "toluene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Toluen") @@ -4820,36 +3617,18 @@ SubClassOf( ObjectSomeValuesFrom( (octane) AnnotationAssertion( "A straight chain alkane composed of 8 carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C8H18") -AnnotationAssertion( "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3") -AnnotationAssertion( "TVMXDCGIABBOFY-UHFFFAOYSA-N") -AnnotationAssertion( "114.22852") -AnnotationAssertion( "114.14085") -AnnotationAssertion( "CCCCCCCC") AnnotationAssertion( "CHEBI:14680") AnnotationAssertion( "CHEBI:25465") AnnotationAssertion( "CHEBI:25645") AnnotationAssertion( "CHEBI:44621") AnnotationAssertion( "CHEBI:7723") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1696875") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:111-65-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:111-65-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:111-65-9") AnnotationAssertion( "DrugBank:DB02440") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:82412") AnnotationAssertion( "HMDB:HMDB0001485") AnnotationAssertion( "KEGG:C01387") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMFA11000002") AnnotationAssertion( "MetaCyc:CPD-148") AnnotationAssertion( "PDBeChem:OCT") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11255151") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24354334") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1696875") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0044") AnnotationAssertion( "Wikipedia:Octane") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Octane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "octane") AnnotationAssertion(Annotation( "UniProt") "octane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "CH3-[CH2]6-CH3") @@ -4866,44 +3645,18 @@ SubClassOf( ObjectSomeValuesFrom( (hydroquinone) AnnotationAssertion( "A benzenediol comprising benzene core carrying two hydroxy substituents para to each other.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H6O2") -AnnotationAssertion( "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H") -AnnotationAssertion( "QIGBRXMKCJKVMJ-UHFFFAOYSA-N") -AnnotationAssertion( "110.11064") -AnnotationAssertion( "110.03678") -AnnotationAssertion( "Oc1ccc(O)cc1") AnnotationAssertion( "CHEBI:14416") AnnotationAssertion( "CHEBI:24645") AnnotationAssertion( "CHEBI:5793") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:605970") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:123-31-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:123-31-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:123-31-9") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3282") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2742") AnnotationAssertion( "HMDB:HMDB0002434") AnnotationAssertion( "KEGG:C00530") AnnotationAssertion( "KEGG:C15603") AnnotationAssertion( "KEGG:D00073") AnnotationAssertion( "KNApSAcK:C00002656") AnnotationAssertion( "MetaCyc:HYDROQUINONE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11170505") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12213471") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1395635") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15618234") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15894107") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1899343") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19148301") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24407054") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24858384") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25586344") AnnotationAssertion( "PPDB:1503") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:605970") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0091") AnnotationAssertion( "Wikipedia:Hydroquinone") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydroquinone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzene-1,4-diol") AnnotationAssertion(Annotation( "UniProt") "hydroquinone") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,4-Benzenediol") @@ -4931,12 +3684,6 @@ SubClassOf( ObjectSomeValuesFrom( (geroprotector) AnnotationAssertion( "Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23372317") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28580190") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30885572") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33144142") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33973253") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34606237") AnnotationAssertion( "Wikipedia:Geroprotector") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "anti-aging agent") @@ -4969,17 +3716,10 @@ SubClassOf( (benzenediol) -AnnotationAssertion( "0") -AnnotationAssertion( "C6H6O2") -AnnotationAssertion( "110.111") -AnnotationAssertion( "110.03678") AnnotationAssertion( "CHEBI:13878") AnnotationAssertion( "CHEBI:3027") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:12385-08-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:12385-08-9") AnnotationAssertion( "KEGG:C01785") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Benzenediol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzenediol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "dihydroxybenzene") AnnotationAssertion( "CHEBI:17701") @@ -4990,36 +3730,21 @@ SubClassOf( (thymidine) AnnotationAssertion( "A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H14N2O5") -AnnotationAssertion( "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1") -AnnotationAssertion( "IQFYYKKMVGJFEH-XLPZGREQSA-N") -AnnotationAssertion( "242.22860") -AnnotationAssertion( "242.09027") -AnnotationAssertion( "Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O") AnnotationAssertion( "CHEBI:15244") AnnotationAssertion( "CHEBI:19273") AnnotationAssertion( "CHEBI:45782") AnnotationAssertion( "CHEBI:45834") AnnotationAssertion( "CHEBI:45917") AnnotationAssertion( "CHEBI:9579") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:89285") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-89-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:50-89-5") AnnotationAssertion( "DrugBank:DB04485") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:282610") AnnotationAssertion( "HMDB:HMDB0000273") AnnotationAssertion( "KEGG:C00214") AnnotationAssertion( "KNApSAcK:C00019698") AnnotationAssertion( "MetaCyc:THYMIDINE") AnnotationAssertion( "PDBeChem:THM") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22770225") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2559771") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:89285") AnnotationAssertion( "Wikipedia:Thymidine") AnnotationAssertion(Annotation( "PDBeChem") "THYMIDINE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Thymidine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "thymidine") AnnotationAssertion(Annotation( "UniProt") "thymidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione") @@ -5045,9 +3770,6 @@ SubClassOf( ObjectSomeValuesFrom( (organohalogen compound) AnnotationAssertion( "A compound containing at least one carbon-halogen bond (where X is a halogen atom).") -AnnotationAssertion( "0") -AnnotationAssertion( "RX") -AnnotationAssertion( "**") AnnotationAssertion( "CHEBI:13444") AnnotationAssertion( "CHEBI:36684") AnnotationAssertion( "CHEBI:8767") @@ -5068,31 +3790,17 @@ SubClassOf( (thymine) AnnotationAssertion( "A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H6N2O2") -AnnotationAssertion( "InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)") -AnnotationAssertion( "RWQNBRDOKXIBIV-UHFFFAOYSA-N") -AnnotationAssertion( "126.11342") -AnnotationAssertion( "126.04293") -AnnotationAssertion( "Cc1c[nH]c(=O)[nH]c1=O") AnnotationAssertion( "CHEBI:15247") AnnotationAssertion( "CHEBI:27004") AnnotationAssertion( "CHEBI:46017") AnnotationAssertion( "CHEBI:9580") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:607626") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:65-71-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:65-71-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:65-71-4") AnnotationAssertion( "DrugBank:DB03462") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:278790") AnnotationAssertion( "KEGG:C00178") AnnotationAssertion( "KNApSAcK:C00001511") AnnotationAssertion( "PDBeChem:TDR") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23237383") AnnotationAssertion( "Wikipedia:Thymine") AnnotationAssertion(Annotation( "PDBeChem") "THYMINE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Thymine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "thymine") AnnotationAssertion(Annotation( "UniProt") "thymine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2,4-dihydroxy-5-methylpyrimidine") @@ -5115,36 +3823,16 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogen chloride) AnnotationAssertion( "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "ClH") -AnnotationAssertion( "HCl") -AnnotationAssertion( "InChI=1S/ClH/h1H") -AnnotationAssertion( "VEXZGXHMUGYJMC-UHFFFAOYSA-N") -AnnotationAssertion( "36.46064") -AnnotationAssertion( "35.97668") -AnnotationAssertion( "Cl[H]") AnnotationAssertion( "CHEBI:13364") AnnotationAssertion( "CHEBI:24635") AnnotationAssertion( "CHEBI:5590") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7647-01-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7647-01-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7647-01-0") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4568") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:322") AnnotationAssertion( "HMDB:HMDB0002306") AnnotationAssertion( "KEGG:C01327") AnnotationAssertion( "KEGG:D02057") AnnotationAssertion( "MetaCyc:HCL") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15823700") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17492841") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22804993") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1098214") AnnotationAssertion( "Wikipedia:HCl") AnnotationAssertion( "Wikipedia:Hydrochloric_acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen chloride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chlorane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chloridohydrogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen chloride") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Chlorwasserstoff") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "HCl") @@ -5184,27 +3872,15 @@ SubClassOf( (urethane) AnnotationAssertion( "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H7NO2") -AnnotationAssertion( "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)") -AnnotationAssertion( "JOYRKODLDBILNP-UHFFFAOYSA-N") -AnnotationAssertion( "89.09322") -AnnotationAssertion( "89.04768") -AnnotationAssertion( "CCOC(N)=O") AnnotationAssertion( "CHEBI:15295") AnnotationAssertion( "CHEBI:27225") AnnotationAssertion( "CHEBI:9892") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:51-79-6") AnnotationAssertion( "DrugBank:DB04827") AnnotationAssertion( "HMDB:HMDB0031219") AnnotationAssertion( "KEGG:C01537") AnnotationAssertion( "LINCS:LSM-37020") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15790490") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24386880") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:635810") AnnotationAssertion( "Wikipedia:Ethyl_carbamate") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Urethane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethyl carbamate") AnnotationAssertion(Annotation( "UniProt") "urethane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Ethyl carbamate") @@ -5219,31 +3895,16 @@ SubClassOf( ObjectSomeValuesFrom( (chloride) AnnotationAssertion( "A halide anion formed when chlorine picks up an electron to form an an anion.") -AnnotationAssertion( "-1") -AnnotationAssertion( "Cl") -AnnotationAssertion( "InChI=1S/ClH/h1H/p-1") -AnnotationAssertion( "VEXZGXHMUGYJMC-UHFFFAOYSA-M") -AnnotationAssertion( "35.45270") -AnnotationAssertion( "34.96940") -AnnotationAssertion( "[Cl-]") AnnotationAssertion( "CHEBI:13291") AnnotationAssertion( "CHEBI:13970") AnnotationAssertion( "CHEBI:3616") AnnotationAssertion( "CHEBI:3731") AnnotationAssertion( "CHEBI:48804") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3587171") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:16887-00-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:16887-00-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:16887-00-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:14910") AnnotationAssertion( "KEGG:C00115") AnnotationAssertion( "KEGG:C00698") AnnotationAssertion( "PDBeChem:CL") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0884") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chloride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chloride") AnnotationAssertion(Annotation( "UniProt") "chloride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chloride(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "CHLORIDE ION") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Chloride ion") @@ -5269,7 +3930,6 @@ AnnotationAssertion( "CHEBI:6486") AnnotationAssertion( "KEGG:C01356") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Lipid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "lipids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:18059") AnnotationAssertion( ) @@ -5278,16 +3938,10 @@ SubClassOf( (hydrogen halide) -AnnotationAssertion( "0") -AnnotationAssertion( "HX") -AnnotationAssertion( "1.008") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "*[H]") AnnotationAssertion( "CHEBI:13368") AnnotationAssertion( "CHEBI:37140") AnnotationAssertion( "CHEBI:5599") AnnotationAssertion(Annotation( "IUPAC") "hydrogen halide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen halides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "hydrogen halides") AnnotationAssertion( "CHEBI:18140") @@ -5299,33 +3953,14 @@ SubClassOf( ObjectSomeValuesFrom( (glutamic acid) AnnotationAssertion( "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H9NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)") -AnnotationAssertion( "WHUUTDBJXJRKMK-UHFFFAOYSA-N") -AnnotationAssertion( "147.12930") -AnnotationAssertion( "147.05316") -AnnotationAssertion( "NC(CCC(O)=O)C(O)=O") AnnotationAssertion( "CHEBI:24314") AnnotationAssertion( "CHEBI:5431") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1723799") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:617-65-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:617-65-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:617-65-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:101971") AnnotationAssertion( "KEGG:C00302") AnnotationAssertion( "KEGG:D04341") AnnotationAssertion( "KNApSAcK:C00001358") AnnotationAssertion( "KNApSAcK:C00019577") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15739367") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17190852") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24616376") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24984001") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1723799") AnnotationAssertion( "Wikipedia:Glutamic_acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-aminopentanedioic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Glutamic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "glutamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "2-Aminoglutaric acid") AnnotationAssertion(Annotation( "KEGG_DRUG") "DL-Glutamic acid") @@ -5347,11 +3982,6 @@ SubClassOf( ObjectSomeValuesFrom( (ribonucleoside) AnnotationAssertion( "Any nucleoside where the sugar component is D-ribose.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H9O4R") -AnnotationAssertion( "133.123") -AnnotationAssertion( "133.05008") -AnnotationAssertion( "OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O") AnnotationAssertion( "CHEBI:13014") AnnotationAssertion( "CHEBI:13015") AnnotationAssertion( "CHEBI:13685") @@ -5372,11 +4002,6 @@ SubClassOf( (2'-deoxyribonucleoside) -AnnotationAssertion( "0") -AnnotationAssertion( "C5H9O3R") -AnnotationAssertion( "117.123") -AnnotationAssertion( "117.05517") -AnnotationAssertion( "OC[C@H]1O[C@@H]([*])C[C@@H]1O") AnnotationAssertion( "CHEBI:1083") AnnotationAssertion( "CHEBI:11394") AnnotationAssertion( "CHEBI:11567") @@ -5417,18 +4042,11 @@ SubClassOf( (alkane) AnnotationAssertion( "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3R") -AnnotationAssertion( "15.035") -AnnotationAssertion( "15.02348") -AnnotationAssertion( "C[*]") AnnotationAssertion( "CHEBI:13435") AnnotationAssertion( "CHEBI:22317") AnnotationAssertion( "CHEBI:2576") AnnotationAssertion( "KEGG:C01371") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkanes") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Alkan") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "RH") @@ -5446,27 +4064,10 @@ SubClassOf( (phosphate(3-)) AnnotationAssertion( "A phosphate ion that is the conjugate base of hydrogenphosphate.") -AnnotationAssertion( "-3") -AnnotationAssertion( "O4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-K") -AnnotationAssertion( "94.97136") -AnnotationAssertion( "94.95507") -AnnotationAssertion( "[O-]P([O-])([O-])=O") AnnotationAssertion( "CHEBI:14791") AnnotationAssertion( "CHEBI:45024") AnnotationAssertion( "CHEBI:7793") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903772") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14265-44-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14265-44-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1997") AnnotationAssertion( "KEGG:C00009") -AnnotationAssertion(Annotation( "ChEBI") "PDBeChem:PO4") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3903772") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxidophosphate(3-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphate(3-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphate(V)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Orthophosphate") AnnotationAssertion(Annotation( "PDBeChem") "PHOSPHATE ION") @@ -5482,18 +4083,6 @@ SubClassOf( ObjectSomeValuesFrom( (4-amino-3-hydroxynaphthalene-1-sulfonic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "C10H9NO4S") -AnnotationAssertion( "InChI=1S/C10H9NO4S/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)") -AnnotationAssertion( "RXCMFQDTWCCLBL-UHFFFAOYSA-N") -AnnotationAssertion( "239.24880") -AnnotationAssertion( "239.02523") -AnnotationAssertion( "Nc1c(O)cc(c2ccccc12)S(O)(=O)=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2697469") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:116-63-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:116-63-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:241697") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-amino-3-hydroxynaphthalene-1-sulfonic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-amino-2-naphthol-4-sulfonic acid") AnnotationAssertion(Annotation( "ChemIDplus") "1-amino-4-sulfo-2-naphthol") @@ -5509,21 +4098,6 @@ SubClassOf( ObjectSomeValuesFrom( (1-bromo-2-chloroethane) AnnotationAssertion( "A haloalkane that is bromoethane substituted by chlorine at position 2.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4BrCl") -AnnotationAssertion( "InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2") -AnnotationAssertion( "IBYHHJPAARCAIE-UHFFFAOYSA-N") -AnnotationAssertion( "143.40986") -AnnotationAssertion( "141.91849") -AnnotationAssertion( "ClCCBr") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:605265") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:107-04-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:107-04-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:984479") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6357525") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8200089") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:605265") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-bromo-2-chloroethane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,2-bromochloroethane") AnnotationAssertion(Annotation( "ChemIDplus") "1,2-chlorobromoethane") @@ -5553,26 +4127,6 @@ SubClassOf( (2,5-bis(aziridin-1-yl)-1,4-benzoquinone) AnnotationAssertion( "A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H10N2O2") -AnnotationAssertion( "InChI=1S/C10H10N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6H,1-4H2") -AnnotationAssertion( "RCWJMKCTHJPXJV-UHFFFAOYSA-N") -AnnotationAssertion( "190.19868") -AnnotationAssertion( "190.07423") -AnnotationAssertion( "O=C1C=C(N2CC2)C(=O)C=C1N1CC1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:169182") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:526-62-5") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10373575") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10978162") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11211879") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:13415397") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17094478") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1751490") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8137269") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8461296") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9690517") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:169182") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2,5-bis(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "2,5,-bis(ethyleneimine)-1,4-benzoquinone") AnnotationAssertion(Annotation( "ChEBI") "2,5,-bisethylene-imine-1,4-benzoquinone") @@ -5601,14 +4155,6 @@ SubClassOf( ObjectSomeValuesFrom( (mitomycin C(1-)) -AnnotationAssertion( "-1") -AnnotationAssertion( "C15H17N4O5") -AnnotationAssertion( "InChI=1S/C15H17N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/q-1/t7-,13-,15+/m0/s1") -AnnotationAssertion( "TWSVZLVCDAGJHJ-QWPQFENESA-N") -AnnotationAssertion( "333.325") -AnnotationAssertion( "333.12044") -AnnotationAssertion( "C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])OC)=O)C)N)=O") -AnnotationAssertion(Annotation( "SUBMITTER") "PMID:17461583") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "mitomycin C") AnnotationAssertion( "CHEBI:194095") @@ -5640,22 +4186,6 @@ SubClassOf( ObjectSomeValuesFrom( (5-bromouracil) AnnotationAssertion( "A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H3BrN2O2") -AnnotationAssertion( "InChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)") -AnnotationAssertion( "LQLQRFGHAALLLE-UHFFFAOYSA-N") -AnnotationAssertion( "190.98300") -AnnotationAssertion( "189.93779") -AnnotationAssertion( "Brc1c[nH]c(=O)[nH]c1=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:127176") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:51-20-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:51-20-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:486432") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14522043") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28166217") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28320905") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3950402") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "5-bromopyrimidine-2,4(1H,3H)-dione") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione") AnnotationAssertion(Annotation( "ChemIDplus") "5-BU") @@ -5673,19 +4203,7 @@ SubClassOf( ObjectSomeValuesFrom( (5-bromouridine) AnnotationAssertion( "A uridine having a bromo substituent at the 5-position.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11BrN2O6") -AnnotationAssertion( "InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1") -AnnotationAssertion( "AGFIRQJZCNVMCW-UAKXSSHOSA-N") -AnnotationAssertion( "323.09752") -AnnotationAssertion( "321.98005") -AnnotationAssertion( "OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:33664") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:957-75-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:723432") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3950402") AnnotationAssertion(Annotation( "ChEBI") "5-bromouridine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "5-bromouridine") AnnotationAssertion(Annotation( "UniProt") "5-bromouridine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-beta-ribofuranosyl-5-bromo-uracil") @@ -5710,20 +4228,6 @@ SubClassOf( (7-bromomethyl-12-methyltetraphene) AnnotationAssertion( "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively.") -AnnotationAssertion( "0") -AnnotationAssertion( "C20H15Br") -AnnotationAssertion( "InChI=1S/C20H15Br/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3") -AnnotationAssertion( "IBWBDNBSIFGSLW-UHFFFAOYSA-N") -AnnotationAssertion( "335.23710") -AnnotationAssertion( "334.03571") -AnnotationAssertion( "Cc1c2ccccc2c(CBr)c2ccc3ccccc3c12") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2056479") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:16238-56-5") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10838135") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3114533") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8625451") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2056479") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "7-(bromomethyl)-12-methyltetraphene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "7-BrMe-12-MeBA") AnnotationAssertion(Annotation( "ChemIDplus") "7-bromomethyl-12-methylbenz[a]anthracene") @@ -5738,15 +4242,6 @@ SubClassOf( ObjectSomeValuesFrom( (ICR-170) -AnnotationAssertion( "0") -AnnotationAssertion( "C21H27Cl4N3O") -AnnotationAssertion( "InChI=1S/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H") -AnnotationAssertion( "PWGOWIIEVDAYTC-UHFFFAOYSA-N") -AnnotationAssertion( "479.26950") -AnnotationAssertion( "477.09082") -AnnotationAssertion( "Cl[H].Cl[H].CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:146-59-8") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine dihydrochloride") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "ICR 170") AnnotationAssertion(Annotation( "ChemIDplus") "N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochloride") @@ -5760,17 +4255,7 @@ SubClassOf( ObjectSomeValuesFrom( (Janus Green B chloride) -AnnotationAssertion( "0") -AnnotationAssertion( "C30H31ClN6") -AnnotationAssertion( "InChI=1S/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1") -AnnotationAssertion( "XXACTDWGHQXLGW-UHFFFAOYSA-M") -AnnotationAssertion( "511.06028") -AnnotationAssertion( "510.22987") -AnnotationAssertion( "[Cl-].CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\\N=N\\c1ccc(cc1)N(C)C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:9748061") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:2869-83-2") AnnotationAssertion( "Patent:US2882209") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium chloride") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride") AnnotationAssertion(Annotation( "ChemIDplus") "3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride") @@ -5796,7 +4281,6 @@ SubClassOf( ObjectSomeValuesFrom( (N-glycosyl compound) AnnotationAssertion( "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "glycosylamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "N-glycoside") AnnotationAssertion(Annotation( "ChEBI") "N-glycosides") @@ -5812,20 +4296,8 @@ SubClassOf( (N-methyl-N'-nitro-N-nitrosoguanidine) AnnotationAssertion( "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H5N5O3") -AnnotationAssertion( "InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)") -AnnotationAssertion( "VZUNGTLZRAYYDE-UHFFFAOYSA-N") -AnnotationAssertion( "147.09280") -AnnotationAssertion( "147.03924") -AnnotationAssertion( "CN(N=O)C(=N)N[N+]([O-])=O") AnnotationAssertion( "CHEBI:34872") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1779490") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:70-25-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:70-25-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:70-25-7") AnnotationAssertion( "KEGG:C14592") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-methyl-3-nitro-1-nitrosoguanidine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "N-Methyl-N'-nitro-N-nitrosoguanidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-Methyl-1-nitroso-3-nitroguanidine") @@ -5892,7 +4364,6 @@ SubClassOf( "An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids.") AnnotationAssertion(Annotation( "IUPAC") "acyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkanoyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "acyl groups") AnnotationAssertion(Annotation( "ChEBI") "alkanoyl group") @@ -5904,7 +4375,6 @@ SubClassOf( (alkali metal atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkali metals") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Alkalimetall") AnnotationAssertion(Annotation( "ChEBI") "Alkalimetalle") @@ -5925,7 +4395,6 @@ SubClassOf( "Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids.") AnnotationAssertion( "Wikipedia:Alkaloid") AnnotationAssertion(Annotation( "ChEBI") "Alkaloid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkaloids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Alkaloide") AnnotationAssertion(Annotation( "ChEBI") "alcaloide") @@ -5939,8 +4408,6 @@ SubClassOf( ObjectSomeValuesFrom( (alkyl group) AnnotationAssertion( "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alkyl groups") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "groupe alkyle") AnnotationAssertion(Annotation( "IUPAC") "grupo alquilo") @@ -5982,11 +4449,6 @@ SubClassOf( ObjectSomeValuesFrom( (aminobenzoic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "C7H7NO2") -AnnotationAssertion( "137.136") -AnnotationAssertion( "137.04768") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aminobenzoic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Aminobenzoesaeure") AnnotationAssertion( "CHEBI:22495") @@ -5998,19 +4460,7 @@ SubClassOf( ObjectSomeValuesFrom( (4-aminofolic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "C19H20N8O5") -AnnotationAssertion( "InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1") -AnnotationAssertion( "TVZGACDUOSZQKY-LBPRGKRZSA-N") -AnnotationAssertion( "440.41302") -AnnotationAssertion( "440.15567") -AnnotationAssertion( "Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:69045") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:54-62-6") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:21") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18789931") AnnotationAssertion(Annotation( "ChemIDplus") "4-aminofolic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "4-amino-PGA") AnnotationAssertion(Annotation( "ChemIDplus") "4-aminopteroylglutamic acid") @@ -6039,7 +4489,6 @@ SubClassOf( "A monoatomic or polyatomic species having one or more elementary charges of the electron.") AnnotationAssertion(Annotation( "ChEBI") "Anion") AnnotationAssertion(Annotation( "ChEBI") "anion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "anion") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Anionen") AnnotationAssertion(Annotation( "ChEBI") "aniones") @@ -6090,7 +4539,6 @@ AnnotationAssertion( "KEGG:C00701") AnnotationAssertion(Annotation( "ChEBI") "Base") AnnotationAssertion(Annotation( "ChEBI") "base") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "base") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Base1") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Base2") @@ -6164,12 +4612,6 @@ SubClassOf( (benzyl group) -AnnotationAssertion( "0") -AnnotationAssertion( "C7H7") -AnnotationAssertion( "91.13048") -AnnotationAssertion( "91.05478") -AnnotationAssertion( "C1=C(C=CC=C1)C*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Bn") AnnotationAssertion(Annotation( "IUPAC") "C6H5-CH2-") @@ -6184,16 +4626,6 @@ SubClassOf( ObjectSomeValuesFrom( (borate) -AnnotationAssertion( "-3") -AnnotationAssertion( "BO3") -AnnotationAssertion( "InChI=1S/BO3/c2-1(3)4/q-3") -AnnotationAssertion( "BTBUEUYNUDRHOZ-UHFFFAOYSA-N") -AnnotationAssertion( "58.80920") -AnnotationAssertion( "58.99569") -AnnotationAssertion( "[O-]B([O-])[O-]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:164057") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "borate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxidoborate(3-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(BO3)3-") AnnotationAssertion(Annotation( "IUPAC") "BO3(3-)") @@ -6247,15 +4679,7 @@ SubClassOf( (bromine atom) -AnnotationAssertion( "0") -AnnotationAssertion( "Br") -AnnotationAssertion( "InChI=1S/Br") -AnnotationAssertion( "WKBOTKDWSSQWDR-UHFFFAOYSA-N") -AnnotationAssertion( "79.90400") -AnnotationAssertion( "78.91834") -AnnotationAssertion( "[Br]") AnnotationAssertion( "WebElements:Br") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "bromine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "35Br") AnnotationAssertion(Annotation( "ChEBI") "Br") @@ -6320,13 +4744,6 @@ SubClassOf( ObjectSomeValuesFrom( (carbamoyl group) AnnotationAssertion( "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2NO") -AnnotationAssertion( "44.03272") -AnnotationAssertion( "44.01364") -AnnotationAssertion( "*C(N)=O") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24168430") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamoyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "-C(O)NH2") AnnotationAssertion(Annotation( "IUPAC") "-CONH2") @@ -6342,12 +4759,6 @@ SubClassOf( ObjectSomeValuesFrom( (carbonyl group) -AnnotationAssertion( "0") -AnnotationAssertion( "CO") -AnnotationAssertion( "28.01010") -AnnotationAssertion( "27.99491") -AnnotationAssertion( "O=C(*)*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbonyl") AnnotationAssertion(Annotation( "ChEBI") "carbonyl group") AnnotationAssertion(Annotation( "UniProt") "carbonyl group") AnnotationAssertion( "chebi_ontology") @@ -6382,15 +4793,7 @@ SubClassOf( ObjectSomeValuesFrom( (chlorine atom) -AnnotationAssertion( "0") -AnnotationAssertion( "Cl") -AnnotationAssertion( "InChI=1S/Cl") -AnnotationAssertion( "ZAMOUSCENKQFHK-UHFFFAOYSA-N") -AnnotationAssertion( "35.45270") -AnnotationAssertion( "34.96885") -AnnotationAssertion( "[Cl]") AnnotationAssertion( "WebElements:Cl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chlorine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "17Cl") AnnotationAssertion(Annotation( "ChEBI") "Chlor") @@ -6442,7 +4845,6 @@ SubClassOf( "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).") AnnotationAssertion( "Wikipedia:Cofactor_(biochemistry)") AnnotationAssertion(Annotation( "IUPAC") "cofactor") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cofactors") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:23357") AnnotationAssertion( ) @@ -6452,24 +4854,9 @@ SubClassOf( (colchicine) AnnotationAssertion( "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum.") -AnnotationAssertion( "0") -AnnotationAssertion( "C22H25NO6") -AnnotationAssertion( "InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)") -AnnotationAssertion( "IAKHMKGGTNLKSZ-UHFFFAOYSA-N") -AnnotationAssertion( "399.43704") -AnnotationAssertion( "399.16819") -AnnotationAssertion( "COc1cc2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:2228812") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:54192-66-4") AnnotationAssertion( "DrugBank:DB01394") AnnotationAssertion( "HMDB:HMDB0015466") AnnotationAssertion( "LINCS:LSM-6449") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10680067") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24074178") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7200520") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9819133") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2228812") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:23359") AnnotationAssertion( ) @@ -6484,7 +4871,6 @@ SubClassOf( ObjectSomeValuesFrom( (molecular entity) AnnotationAssertion( "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "molecular entity") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "entidad molecular") AnnotationAssertion(Annotation( "IUPAC") "entidades moleculares") @@ -6510,10 +4896,6 @@ SubClassOf( ObjectSomeValuesFrom( (copper cation) -AnnotationAssertion( "Cu") -AnnotationAssertion( "63.546") -AnnotationAssertion( "62.92960") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper cation") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "Cu cation") AnnotationAssertion(Annotation( "ChEBI") "copper cations") @@ -6527,25 +4909,10 @@ SubClassOf( ObjectSomeValuesFrom( (copper(II) sulfate) AnnotationAssertion( "A metal sulfate compound having copper(2+) as the metal ion.") -AnnotationAssertion( "0") -AnnotationAssertion( "CuO4S") -AnnotationAssertion( "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2") -AnnotationAssertion( "ARUVKPQLZAKDPS-UHFFFAOYSA-L") -AnnotationAssertion( "159.60960") -AnnotationAssertion( "158.88133") -AnnotationAssertion( "[Cu++].[O-]S([O-])(=O)=O") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7758-98-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7758-98-7") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:8294") AnnotationAssertion( "KEGG:C18713") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10469300") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29079364") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8566016") AnnotationAssertion( "PPDB:178") AnnotationAssertion( "Wikipedia:Copper(II)_sulfate") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Copper(II) sulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper(2+) sulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper(II) sulfate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "CuSO4") AnnotationAssertion(Annotation( "ChemIDplus") "Cupric sulfate") @@ -6584,17 +4951,6 @@ SubClassOf( (diepoxybutane) -AnnotationAssertion( "0") -AnnotationAssertion( "C4H6O2") -AnnotationAssertion( "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2") -AnnotationAssertion( "ZFIVKAOQEXOYFY-UHFFFAOYSA-N") -AnnotationAssertion( "86.08924") -AnnotationAssertion( "86.03678") -AnnotationAssertion( "C1OC1C1CO1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:79831") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1464-53-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:1464-53-5") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2,2'-bioxirane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,1'-bi[ethylene oxide]") AnnotationAssertion(Annotation( "ChemIDplus") "1,2:3,4-butadiene diepoxide") @@ -6616,17 +4972,6 @@ SubClassOf( ObjectSomeValuesFrom( (1,2:7,8-diepoxyoctane) -AnnotationAssertion( "0") -AnnotationAssertion( "C8H14O2") -AnnotationAssertion( "InChI=1S/C8H14O2/c1(3-7-5-9-7)2-4-8-6-10-8/h7-8H,1-6H2") -AnnotationAssertion( "LFKLPJRVSHJZPL-UHFFFAOYSA-N") -AnnotationAssertion( "142.19556") -AnnotationAssertion( "142.09938") -AnnotationAssertion( "C(CCC1CO1)CC1CO1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:104873") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:2426-07-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:2426-07-5") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2,2'-butane-1,4-diyldioxirane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,2,7,8-Diepoxyoctane") AnnotationAssertion(Annotation( "ChemIDplus") "1,2-Epoxy-7,8-epoxyoctane") @@ -6643,7 +4988,6 @@ SubClassOf( ObjectSomeValuesFrom( "A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols.") AnnotationAssertion( "Wikipedia:Diol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diols") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:23824") AnnotationAssertion( ) @@ -6684,7 +5028,6 @@ SubClassOf( (enzyme inhibitor) AnnotationAssertion( "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "enzyme inhibitor") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "enzyme inhibitors") AnnotationAssertion(Annotation( "ChEBI") "inhibidor enzimatico") @@ -6700,27 +5043,7 @@ SubClassOf( (ethyl methanesulfonate) AnnotationAssertion( "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H8O3S") -AnnotationAssertion( "InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3") -AnnotationAssertion( "PLUBXMRUUVWRLT-UHFFFAOYSA-N") -AnnotationAssertion( "124.15900") -AnnotationAssertion( "124.01942") -AnnotationAssertion( "CCOS(C)(=O)=O") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:62-50-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:62-50-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:62-50-0") AnnotationAssertion( "KEGG:C19239") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16039156") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19797863") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20102787") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24475756") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24524729") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24531730") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24728647") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6936603") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7285888") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:773969") AnnotationAssertion( "Wikipedia:Ethyl_methanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "EMS") @@ -6742,31 +5065,8 @@ SubClassOf( ObjectSomeValuesFrom( (N-ethyl-N-nitrosourea) AnnotationAssertion( "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H7N3O2") -AnnotationAssertion( "InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)") -AnnotationAssertion( "FUSGACRLAFQQRL-UHFFFAOYSA-N") -AnnotationAssertion( "117.10660") -AnnotationAssertion( "117.05383") -AnnotationAssertion( "CCN(N=O)C(N)=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1761174") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:759-73-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:759-73-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:759-73-9") AnnotationAssertion( "KEGG:C19178") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11732210") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11853764") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11880538") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16423555") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21861612") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22012195") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22238669") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23551873") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24175309") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8603364") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1761174") AnnotationAssertion( "Wikipedia:ENU") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-ethyl-1-nitrosourea") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine") AnnotationAssertion(Annotation( "ChemIDplus") "1-Ethyl-1-nitrosourea") @@ -6811,16 +5111,7 @@ SubClassOf( ObjectSomeValuesFrom( (fluorine atom) -AnnotationAssertion( "0") -AnnotationAssertion( "F") -AnnotationAssertion( "InChI=1S/F") -AnnotationAssertion( "YCKRFDGAMUMZLT-UHFFFAOYSA-N") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "[F]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7782-41-4") AnnotationAssertion( "WebElements:F") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluorine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "9F") AnnotationAssertion(Annotation( "IUPAC") "F") @@ -6859,7 +5150,6 @@ SubClassOf( ObjectSomeValuesFrom( (glutamine family amino acid) AnnotationAssertion( "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20716061") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "glutamine family amino acids") AnnotationAssertion( "CHEBI:24318") @@ -6896,7 +5186,6 @@ SubClassOf( (glycoside) AnnotationAssertion( "A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "glycosides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "O-glycoside") AnnotationAssertion(Annotation( "ChEBI") "O-glycosides") @@ -6928,7 +5217,6 @@ SubClassOf( (group) AnnotationAssertion( "A defined linked collection of atoms or a single atom within a molecular entity.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Gruppe") AnnotationAssertion(Annotation( "ChEBI") "Rest") @@ -6988,8 +5276,6 @@ SubClassOf( ObjectSomeValuesFrom( (halogen) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "halogens") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Halogene") AnnotationAssertion(Annotation( "ChEBI") "group 17 elements") @@ -7019,32 +5305,14 @@ SubClassOf( (hexamethylmelamine) -AnnotationAssertion( "0") -AnnotationAssertion( "C9H18N6") -AnnotationAssertion( "InChI=1S/C9H18N6/c1-13(2)7-10-8(14(3)4)12-9(11-7)15(5)6/h1-6H3") -AnnotationAssertion( "UUVWYPNAQBNQJQ-UHFFFAOYSA-N") -AnnotationAssertion( "210.27966") -AnnotationAssertion( "210.15929") -AnnotationAssertion( "CN(C)c1nc(nc(n1)N(C)C)N(C)C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:195058") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:645-05-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:645-05-6") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:141") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:603940") AnnotationAssertion( "LINCS:LSM-3492") AnnotationAssertion( "Patent:DE1240870") AnnotationAssertion( "Patent:US3424752") AnnotationAssertion( "Wikipedia:Altretamine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2,4,6-tris(dimethylamino)-1,3,5-triazine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2,4,6-tris(dimethylamino)-s-triazine") AnnotationAssertion(Annotation( "ChemIDplus") "HMM") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Hexalen") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Hexastat") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "altretamina") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "altretamine") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "altretaminum") AnnotationAssertion( "CHEBI:24564") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "hexamethylmelamine") @@ -7052,20 +5320,7 @@ SubClassOf( (hexamethylphosphoric triamide) -AnnotationAssertion( "0") -AnnotationAssertion( "C6H18N3OP") -AnnotationAssertion( "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3") -AnnotationAssertion( "GNOIPBMMFNIUFM-UHFFFAOYSA-N") -AnnotationAssertion( "179.20050") -AnnotationAssertion( "179.11875") -AnnotationAssertion( "CN(C)P(=O)(N(C)C)N(C)C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1099903") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:680-31-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:680-31-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:680-31-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3259") AnnotationAssertion( "KEGG:C19250") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N,N,N',N',N'',N''-hexamethylphosphoric triamide") AnnotationAssertion(Annotation( "ChemIDplus") "hexamethylphosphoric triamide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "HEMPA") @@ -7091,29 +5346,8 @@ SubClassOf( ObjectSomeValuesFrom( (hycanthone mesylate) AnnotationAssertion( "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.") -AnnotationAssertion( "0") -AnnotationAssertion( "C21H28N2O5S2") -AnnotationAssertion( "InChI=1S/C20H24N2O2S.CH4O3S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-5(2,3)4/h5-10,21,23H,3-4,11-13H2,1-2H3;1H3,(H,2,3,4)") -AnnotationAssertion( "LOEQGPPJCCUXEJ-UHFFFAOYSA-N") -AnnotationAssertion( "452.58700") -AnnotationAssertion( "452.14396") -AnnotationAssertion( "CS(O)(=O)=O.CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:23255-93-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:23255-93-8") AnnotationAssertion( "KEGG:C19432") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1206768") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1618027") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2266978") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2499511") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2503417") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3104567") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6408464") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6815525") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8375330") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4096157") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-10H-dibenzo[b,e]thiopyran-10-one methanesulfonate") AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Etrenol") AnnotationAssertion(Annotation( "IUPAC") "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate") AnnotationAssertion(Annotation( "ChEBI") "N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate") AnnotationAssertion(Annotation( "ChemIDplus") "hycanthone methanesulfonate") @@ -7133,8 +5367,6 @@ SubClassOf( ObjectSomeValuesFrom( (hydrocarbon) AnnotationAssertion( "A compound consisting of carbon and hydrogen only.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbons") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Kohlenwasserstoff") AnnotationAssertion(Annotation( "ChEBI") "Kohlenwasserstoffe") @@ -7149,11 +5381,6 @@ SubClassOf( (hydroquinones) AnnotationAssertion( "Benzenediols that have the hydroxy substituents in the 1- and 4-positions.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H2O2R4") -AnnotationAssertion( "106.079") -AnnotationAssertion( "106.00548") -AnnotationAssertion( "OC1=C(*)C(*)=C(O)C(*)=C1*") AnnotationAssertion( "CHEBI:134188") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "1,4-benzoquinols") @@ -7202,8 +5429,6 @@ SubClassOf( (oxoacid) AnnotationAssertion( "A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxoacid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxoacids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "oxacids") AnnotationAssertion(Annotation( "ChEBI") "oxiacids") @@ -7300,15 +5525,7 @@ SubClassOf( (iodine atom) AnnotationAssertion( "Chemical element with atomic number 53.") -AnnotationAssertion( "0") -AnnotationAssertion( "I") -AnnotationAssertion( "InChI=1S/I") -AnnotationAssertion( "ZCYVEMRRCGMTRW-UHFFFAOYSA-N") -AnnotationAssertion( "126.90447") -AnnotationAssertion( "126.90447") -AnnotationAssertion( "[I]") AnnotationAssertion( "WebElements:I") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "iodine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "53I") AnnotationAssertion(Annotation( "ChEBI") "I") @@ -7329,7 +5546,6 @@ SubClassOf( ObjectSomeValuesFrom( (salt) AnnotationAssertion( "A salt is an assembly of cations and anions.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "salt") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Salz") AnnotationAssertion(Annotation( "ChEBI") "Salze") @@ -7372,7 +5588,6 @@ SubClassOf( "A molecular entity having a net electric charge.") AnnotationAssertion(Annotation( "ChEBI") "Ion") AnnotationAssertion(Annotation( "ChEBI") "ion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ion") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Ionen") AnnotationAssertion(Annotation( "ChEBI") "iones") @@ -7397,7 +5612,6 @@ SubClassOf( "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.") AnnotationAssertion( "CHEBI:26619") AnnotationAssertion( "CHEBI:35220") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "metabolite") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "metabolites") AnnotationAssertion(Annotation( "ChEBI") "primary metabolites") @@ -7421,11 +5635,6 @@ SubClassOf( (methanesulfonate ester) AnnotationAssertion( "An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3O3SR") -AnnotationAssertion( "95.099") -AnnotationAssertion( "94.98029") -AnnotationAssertion( "CS(O*)(=O)=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "mesylate ester") AnnotationAssertion(Annotation( "ChEBI") "mesylate esters") @@ -7439,16 +5648,7 @@ SubClassOf( (methanesulfonate) AnnotationAssertion( "A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CH3O3S") -AnnotationAssertion( "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1") -AnnotationAssertion( "AFVFQIVMOAPDHO-UHFFFAOYSA-M") -AnnotationAssertion( "95.09872") -AnnotationAssertion( "94.98084") -AnnotationAssertion( "CS([O-])(=O)=O") AnnotationAssertion( "MetaCyc:CPD-3746") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0347") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methanesulfonate") AnnotationAssertion(Annotation( "UniProt") "methanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UM-BBD") "methylsulfonate") @@ -7460,16 +5660,6 @@ SubClassOf( ObjectSomeValuesFrom( (1-methoxy-N-nitrosodiethylamine) -AnnotationAssertion( "0") -AnnotationAssertion( "C5H12N2O2") -AnnotationAssertion( "InChI=1S/C5H12N2O2/c1-4-7(6-8)5(2)9-3/h5H,4H2,1-3H3") -AnnotationAssertion( "DCUKVUVLSDGDEZ-UHFFFAOYSA-N") -AnnotationAssertion( "132.16106") -AnnotationAssertion( "132.08988") -AnnotationAssertion( "CCN(N=O)C(C)OC") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:4368978") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:61738-03-2") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-ethyl-1-methoxy-N-nitrosoethanamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:25234") AnnotationAssertion( ) @@ -7491,29 +5681,9 @@ SubClassOf( (methyl methanesulfonate) AnnotationAssertion( "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H6O3S") -AnnotationAssertion( "InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3") -AnnotationAssertion( "MBABOKRGFJTBAE-UHFFFAOYSA-N") -AnnotationAssertion( "110.13200") -AnnotationAssertion( "110.00377") -AnnotationAssertion( "COS(C)(=O)=O") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:66-27-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:66-27-3") AnnotationAssertion( "KEGG:C19181") AnnotationAssertion( "MetaCyc:CPD-7038") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11016630") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14761437") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16764919") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21353429") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21860482") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22907509") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23117069") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23384783") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23483329") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1098586") AnnotationAssertion( "Wikipedia:Methyl_methanesulfonate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methyl methanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "CB1540") AnnotationAssertion(Annotation( "ChemIDplus") "MMS") @@ -7544,7 +5714,6 @@ SubClassOf( ObjectSomeValuesFrom( (mitomycin) AnnotationAssertion( "A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19777135") AnnotationAssertion( "Wikipedia:Mitomycin") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "mitomycins") @@ -7593,9 +5762,6 @@ SubClassOf( (monoatomic monocation) -AnnotationAssertion( "+1") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*+]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "monoatomic monocations") AnnotationAssertion(Annotation( "ChEBI") "monovalent inorganic cations") @@ -7607,28 +5773,8 @@ SubClassOf( (bis(2-chloroethyl) sulfide) AnnotationAssertion( "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H8Cl2S") -AnnotationAssertion( "InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2") -AnnotationAssertion( "QKSKPIVNLNLAAV-UHFFFAOYSA-N") -AnnotationAssertion( "159.07772") -AnnotationAssertion( "157.97238") -AnnotationAssertion( "ClCCSCCCl") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1733595") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:505-60-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:505-60-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:505-60-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:324535") AnnotationAssertion( "KEGG:C19164") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15908294") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19559099") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23091586") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24467472") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24641121") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24791566") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24801489") AnnotationAssertion( "Wikipedia:Sulfur_mustard") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-chloro-2-[(2-chloroethyl)sulfanyl]ethane") AnnotationAssertion(Annotation( "ChemIDplus") "bis(2-chloroethyl) sulfide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,1'-thiobis(2-chloroethane)") @@ -7703,12 +5849,7 @@ SubClassOf( (nitrogen atom) -AnnotationAssertion( "0") -AnnotationAssertion( "N") -AnnotationAssertion( "14.007") -AnnotationAssertion( "14.00307") AnnotationAssertion( "WebElements:N") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "7N") AnnotationAssertion(Annotation( "IUPAC") "N") @@ -7725,7 +5866,6 @@ SubClassOf( ObjectSomeValuesFrom( (nonmetal atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nonmetal") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Nichtmetall") AnnotationAssertion(Annotation( "ChEBI") "Nichtmetalle") @@ -7775,13 +5915,6 @@ SubClassOf( (ether) AnnotationAssertion( "An organooxygen compound with formula ROR, where R is not hydrogen.") -AnnotationAssertion( "0") -AnnotationAssertion( "OR2") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "[*]O[*]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ether") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethers") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "ethers") AnnotationAssertion( "CHEBI:25698") @@ -7825,16 +5958,8 @@ SubClassOf( (oxygen atom) -AnnotationAssertion( "0") -AnnotationAssertion( "O") -AnnotationAssertion( "InChI=1S/O") -AnnotationAssertion( "QVGXLLKOCUKJST-UHFFFAOYSA-N") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "[O]") AnnotationAssertion( "KEGG:C00007") AnnotationAssertion( "WebElements:O") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxygen") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "8O") AnnotationAssertion(Annotation( "IUPAC") "O") @@ -7903,16 +6028,6 @@ SubClassOf( ObjectSomeValuesFrom( (4-(2-aminoethyl)-N,N-bis(2-chloroethyl)aniline) -AnnotationAssertion( "0") -AnnotationAssertion( "C12H18Cl2N2") -AnnotationAssertion( "InChI=1S/C12H18Cl2N2/c13-6-9-16(10-7-14)12-3-1-11(2-4-12)5-8-15/h1-4H,5-10,15H2") -AnnotationAssertion( "PJKCNYLAFQAJDD-UHFFFAOYSA-N") -AnnotationAssertion( "261.19020") -AnnotationAssertion( "260.08470") -AnnotationAssertion( "NCCc1ccc(cc1)N(CCCl)CCCl") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:3292665") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:58880-18-5") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-(2-aminoethyl)-N,N-bis(2-chloroethyl)aniline") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "4-(bis(2-chloroethyl)amino)benzeneethanamine") AnnotationAssertion(Annotation( "ChemIDplus") "CB 3034") @@ -7947,7 +6062,6 @@ SubClassOf( "A chemically diverse class of peptides that exhibit antimicrobial properties.") AnnotationAssertion( "MetaCyc:Peptide-Antibiotics") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33398258") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "peptide antibiotics") AnnotationAssertion( "CHEBI:25903") @@ -7960,7 +6074,6 @@ SubClassOf( ObjectSomeValuesFrom( "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.") AnnotationAssertion( "Wikipedia:Pesticide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pesticide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Pestizid") AnnotationAssertion(Annotation( "ChEBI") "Pestizide") @@ -7994,38 +6107,13 @@ SubClassOf( (phosphoric acid) AnnotationAssertion( "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "H3O4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-N") -AnnotationAssertion( "97.99520") -AnnotationAssertion( "97.97690") -AnnotationAssertion( "[H]OP(=O)(O[H])O[H]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1921286") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-38-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-38-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-38-2") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4478") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2000") AnnotationAssertion( "HMDB:HMDB0002142") AnnotationAssertion( "KEGG:C00009") AnnotationAssertion( "KEGG:D05467") AnnotationAssertion( "KNApSAcK:C00007408") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11455380") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15630224") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17518491") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22282755") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22333268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22381614") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22401268") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1921286") AnnotationAssertion( "Wikipedia:Phosphoric_Acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Phosphoric acid") AnnotationAssertion(Annotation( "IUPAC") "phosphoric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxophosphoric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydrogen tetraoxophosphate(3-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydroxidooxidophosphorus") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H3PO4") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Orthophosphoric acid") @@ -8060,14 +6148,8 @@ SubClassOf( ObjectSomeValuesFrom( (polar amino acid) AnnotationAssertion( "Any amino acid whose side chain is capable of forming one or more hydrogen bonds.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "OC(C(*)N)=O") AnnotationAssertion( "CHEBI:8283") AnnotationAssertion( "MetaCyc:Polar-amino-acids") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12016058") AnnotationAssertion(Annotation( "ChEBI") "polar amino acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "polar amino acids") @@ -8093,7 +6175,6 @@ SubClassOf( "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine.") AnnotationAssertion(Annotation( "IUPAC") "amidine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amidines") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amidines") AnnotationAssertion(Annotation( "ChEBI") "amidines") @@ -8133,11 +6214,6 @@ SubClassOf( (purine nucleobase) AnnotationAssertion( "A nucleobase whose skeleton is derived from purine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H3N4R2") -AnnotationAssertion( "119.104") -AnnotationAssertion( "119.03577") -AnnotationAssertion( "C1(NC(=NC=2NC=NC12)*)=*") AnnotationAssertion( "KEGG:C15587") AnnotationAssertion(Annotation( "ChEBI") "purine nucleobase") AnnotationAssertion( "chebi_ontology") @@ -8153,10 +6229,6 @@ SubClassOf( (purines) AnnotationAssertion( "A class of imidazopyrimidines that consists of purine and its substituted derivatives.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5N4R7") -AnnotationAssertion( "116.080") -AnnotationAssertion( "116.01230") AnnotationAssertion( "CHEBI:13678") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:26401") @@ -8167,11 +6239,6 @@ SubClassOf( (pyrimidine nucleobase) AnnotationAssertion( "A nucleobase whose skeleton is derived from pyrimidine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4HN2R4") -AnnotationAssertion( "77.064") -AnnotationAssertion( "77.01397") -AnnotationAssertion( "N1C(=C(C(=NC1=*)*)*)*") AnnotationAssertion(Annotation( "ChEBI") "pyrimidine nucleobase") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a pyrimidine nucleobase") @@ -8197,18 +6264,6 @@ SubClassOf( (quinhydrone) -AnnotationAssertion( "0") -AnnotationAssertion( "C12H10O4") -AnnotationAssertion( "InChI=1S/C6H6O2.C6H4O2/c2*7-5-1-2-6(8)4-3-5/h1-4,7-8H;1-4H") -AnnotationAssertion( "BDJXVNRFAQSMAA-UHFFFAOYSA-N") -AnnotationAssertion( "218.20540") -AnnotationAssertion( "218.05791") -AnnotationAssertion( "Oc1ccc(O)cc1.O=C1C=CC(=O)C=C1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3919222") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:106-34-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:106-34-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:253527") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclohexa-2,5-diene-1,4-dione--benzene-1,4-diol (1:1)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Chinhydron") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "green hydroquinone") @@ -8264,9 +6319,6 @@ SubClassOf( (saturated fatty acid) AnnotationAssertion( "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16492686") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19763019") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20237329") AnnotationAssertion(Annotation( "ChEBI") "saturated fatty acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "SFA") @@ -8280,15 +6332,6 @@ SubClassOf( (short-chain fatty acid) AnnotationAssertion( "An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2OR") -AnnotationAssertion( "45.017") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16633129") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16870803") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18203540") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20148677") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "SCFA") AnnotationAssertion(Annotation( "ChEBI") "SCFAs") @@ -8301,18 +6344,8 @@ SubClassOf( ObjectSomeValuesFrom( (sodium atom) -AnnotationAssertion( "0") -AnnotationAssertion( "Na") -AnnotationAssertion( "InChI=1S/Na") -AnnotationAssertion( "KEAYESYHFKHZAL-UHFFFAOYSA-N") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "[Na]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-23-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16221") AnnotationAssertion( "KEGG:C01330") AnnotationAssertion( "WebElements:Na") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "11Na") AnnotationAssertion(Annotation( "IUPAC") "Na") @@ -8330,21 +6363,6 @@ SubClassOf( ObjectSomeValuesFrom( (sodium hydrogensulfite) AnnotationAssertion( "An inorganic sodium salt having hydrogensulfite as the counterion.") -AnnotationAssertion( "0") -AnnotationAssertion( "HNaO3S") -AnnotationAssertion( "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1") -AnnotationAssertion( "DWAQJAXMDSEUJJ-UHFFFAOYSA-M") -AnnotationAssertion( "104.06191") -AnnotationAssertion( "103.95441") -AnnotationAssertion( "[Na+].OS([O-])=O") -AnnotationAssertion(Annotation( "Europe PMC") "AGR:IND605265115") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7631-90-5") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:22395") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:27905861") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30429859") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32714086") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32785935") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium hydrogensulfite") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "NaHSO3") AnnotationAssertion(Annotation( "ChEBI") "Natriumbisulfit") @@ -8399,11 +6417,6 @@ SubClassOf( (sulfuric ester) AnnotationAssertion( "An ester of an alcohol and sulfuric acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "O4SR2") -AnnotationAssertion( "96.06300") -AnnotationAssertion( "95.95173") -AnnotationAssertion( "[*]OS(=O)(=O)O[*]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "sulfate ester") AnnotationAssertion(Annotation( "ChEBI") "sulfuric acid ester") @@ -8452,20 +6465,10 @@ SubClassOf( (sulfur atom) -AnnotationAssertion( "0") -AnnotationAssertion( "S") -AnnotationAssertion( "InChI=1S/S") -AnnotationAssertion( "NINIDFKCEFEMDL-UHFFFAOYSA-N") -AnnotationAssertion( "32.06600") -AnnotationAssertion( "31.97207") -AnnotationAssertion( "[S]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7704-34-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7704-34-9") AnnotationAssertion( "KEGG:C00087") AnnotationAssertion( "KEGG:D06527") AnnotationAssertion( "PPDB:605") AnnotationAssertion( "WebElements:S") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfur") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "16S") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Elemental sulfur") @@ -8510,42 +6513,14 @@ SubClassOf( ObjectSomeValuesFrom( (sulfuric acid) AnnotationAssertion( "A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "H2O4S") -AnnotationAssertion( "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)") -AnnotationAssertion( "QAOWNCQODCNURD-UHFFFAOYSA-N") -AnnotationAssertion( "98.07948") -AnnotationAssertion( "97.96738") -AnnotationAssertion( "[H]OS(=O)(=O)O[H]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-93-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-93-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-93-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2122") AnnotationAssertion( "KEGG:C00059") AnnotationAssertion( "KEGG:D05963") AnnotationAssertion( "KNApSAcK:C00007530") AnnotationAssertion( "MolBase:4") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:13568755") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16122922") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19397353") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22047659") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22136045") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22204399") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22267186") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22296037") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22364556") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22435616") AnnotationAssertion( "PPDB:606") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2037554") AnnotationAssertion( "Wikipedia:Sulfuric_acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfuric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen tetraoxosulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidodioxidosulfur") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen tetraoxosulfate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen tetraoxosulfate(VI)") AnnotationAssertion(Annotation( "ChEBI") "sulfuric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfuric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraoxosulfuric acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Acide sulfurique") AnnotationAssertion(Annotation( "ChemIDplus") "Acido sulfurico") @@ -8609,7 +6584,6 @@ SubClassOf( (transition element atom) AnnotationAssertion( "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "transition element") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Uebergangselement") AnnotationAssertion(Annotation( "ChEBI") "Uebergangsmetalle") @@ -8629,29 +6603,9 @@ SubClassOf( (triaziquone) AnnotationAssertion( "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C12H13N3O2") -AnnotationAssertion( "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2") -AnnotationAssertion( "PXSOHRWMIRDKMP-UHFFFAOYSA-N") -AnnotationAssertion( "231.25050") -AnnotationAssertion( "231.10078") -AnnotationAssertion( "O=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:68-76-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:68-76-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:68-76-8") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4372") AnnotationAssertion( "KEGG:C19542") AnnotationAssertion( "KEGG:D07254") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:146335") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20371239") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:362189") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3672382") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:582920") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:624547") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:74416") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:238057") AnnotationAssertion( "Wikipedia:Triaziquone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2,3,5-Ethylenimine-1,4-benzoquinone") @@ -8668,15 +6622,11 @@ AnnotationAssertion(Annotation( "ChemIDplus") "2,3,5-Tris(ethylenimino)benzoquinone") AnnotationAssertion(Annotation( "ChemIDplus") "2,3,5-Trisethyleneiminobenzoquinone") AnnotationAssertion(Annotation( "ChemIDplus") "Triazichon") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Triaziquonum") AnnotationAssertion(Annotation( "ChemIDplus") "Triethyleneaminobenzoquinone") AnnotationAssertion(Annotation( "ChemIDplus") "Tris(1-aziridinyl)-p-benzoquinone") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "Tris(aziridinyl)-p-benzoquinone") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Tris(aziridinyl)-para-benzoquinone") AnnotationAssertion(Annotation( "ChemIDplus") "Tris(ethyleneimino)benzoquinone") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "triazicuona") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "triaziquone") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "triaziquone") AnnotationAssertion( "CHEBI:27090") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "triaziquone") @@ -8728,16 +6678,6 @@ SubClassOf( ObjectSomeValuesFrom( (vinyl carbamate) -AnnotationAssertion( "0") -AnnotationAssertion( "C3H5NO2") -AnnotationAssertion( "InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)") -AnnotationAssertion( "LVLANIHJQRZTPY-UHFFFAOYSA-N") -AnnotationAssertion( "87.07734") -AnnotationAssertion( "87.03203") -AnnotationAssertion( "NC(=O)OC=C") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1921122") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:15805-73-9") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "vinyl carbamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "carbamic acid, vinyl ester") AnnotationAssertion(Annotation( "ChemIDplus") "ethenyl carbamate") @@ -8777,8 +6717,6 @@ SubClassOf( (zwitterion) AnnotationAssertion( "A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zwitterion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "zwitterions") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "compose zwitterionique") AnnotationAssertion(Annotation( "IUPAC") "compuestos zwitterionicos") @@ -8792,27 +6730,11 @@ SubClassOf( (methanesulfonic acid) AnnotationAssertion( "An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH4O3S") -AnnotationAssertion( "InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)") -AnnotationAssertion( "AFVFQIVMOAPDHO-UHFFFAOYSA-N") -AnnotationAssertion( "96.10666") -AnnotationAssertion( "95.98812") -AnnotationAssertion( "CS(O)(=O)=O") AnnotationAssertion( "CHEBI:6813") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1446024") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:75-75-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:75-75-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:75-75-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1681") AnnotationAssertion( "KEGG:C11145") AnnotationAssertion( "MetaCyc:CPD-3746") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24304088") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24593036") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1446024") AnnotationAssertion( "Wikipedia:Methanesulfonic_acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Methanesulfonic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "methanesulfonic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Methansulfonsaeure") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "methylsulfonic acid") @@ -8827,25 +6749,12 @@ SubClassOf( ObjectSomeValuesFrom( (folic acid) AnnotationAssertion( "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation.") -AnnotationAssertion( "0") -AnnotationAssertion( "C19H19N7O6") -AnnotationAssertion( "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1") -AnnotationAssertion( "OVBPIULPVIDEAO-LBPRGKRZSA-N") -AnnotationAssertion( "441.39750") -AnnotationAssertion( "441.13968") -AnnotationAssertion( "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1") AnnotationAssertion( "CHEBI:24075") AnnotationAssertion( "CHEBI:42610") AnnotationAssertion( "CHEBI:5140") AnnotationAssertion( "CHEBI:569217") -AnnotationAssertion(Annotation( "Europe PMC") "AGR:IND606960789") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:100781") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:59-30-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:59-30-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:59-30-3") AnnotationAssertion( "Chemspider:5815") AnnotationAssertion( "DrugBank:DB00158") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1231") AnnotationAssertion( "FooDB:FDB014504") AnnotationAssertion( "HMDB:HMDB0000121") AnnotationAssertion( "KEGG:C00504") @@ -8854,61 +6763,15 @@ AnnotationAssertion( "LINCS:LSM-5355") AnnotationAssertion( "MetaCyc:CPD-12826") AnnotationAssertion( "PDBeChem:FOL") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10138938") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10897644") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10958818") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11261364") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11451208") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11959400") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14387833") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15321809") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15523939") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15754725") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15797531") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15797685") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15831910") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15990733") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16093404") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16277678") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16380297") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16871332") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17784727") -AnnotationAssertion(Annotation( "ChEMBL") "PMID:18788725") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19121630") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19335717") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19355913") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24650098") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33624660") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33965562") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33968971") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34207319") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34219855") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7738698") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8235383") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9040515") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9420019") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9565830") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9683174") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9781393") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9808640") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9808641") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:100781") AnnotationAssertion( "Wikipedia:Folic_Acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Acfol") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Folate") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Folicet") AnnotationAssertion(Annotation( "ChEBI") "Folsaeure") AnnotationAssertion(Annotation( "PDBeChem") "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid") AnnotationAssertion(Annotation( "ChEBI") "N-pteroyl-L-glutamic acid") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "PGA") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "PteGlu") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "acide folique") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "acido folico") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "acidum folicum") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "folic acid") AnnotationAssertion(Annotation( "ChemIDplus") "pteroyl-L-glutamic acid") AnnotationAssertion(Annotation( "ChemIDplus") "pteroyl-L-monoglutamic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "pteroylglutamic acid") @@ -8931,30 +6794,15 @@ SubClassOf( ObjectSomeValuesFrom( (mitomycin C) -AnnotationAssertion( "0") -AnnotationAssertion( "C15H18N4O5") -AnnotationAssertion( "InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1") -AnnotationAssertion( "NWIBSHFKIJFRCO-WUDYKRTCSA-N") -AnnotationAssertion( "334.32720") -AnnotationAssertion( "334.12772") -AnnotationAssertion( "[H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(N)=C(C)C4=O") AnnotationAssertion( "CHEBI:25356") AnnotationAssertion( "CHEBI:6953") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3570056") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-07-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:50-07-7") AnnotationAssertion( "DrugBank:DB00305") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1819") AnnotationAssertion( "KEGG:C06681") AnnotationAssertion( "KEGG:D00208") AnnotationAssertion( "KNApSAcK:C00018668") AnnotationAssertion( "LINCS:LSM-6310") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:36194168") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:36453313") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:36473690") AnnotationAssertion( "Wikipedia:Mitomycin") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Mitomycin C") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "7-Amino-9alpha-methoxymitosane") AnnotationAssertion(Annotation( "ChemIDplus") "Ametycine") @@ -8972,20 +6820,10 @@ SubClassOf( ObjectSomeValuesFrom( (boron atom) -AnnotationAssertion( "0") -AnnotationAssertion( "B") -AnnotationAssertion( "InChI=1S/B") -AnnotationAssertion( "ZOXJGFHDIHLPTG-UHFFFAOYSA-N") -AnnotationAssertion( "10.81100") -AnnotationAssertion( "11.00930") -AnnotationAssertion( "[B]") AnnotationAssertion( "CHEBI:22915") AnnotationAssertion( "CHEBI:3152") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-42-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-42-8") AnnotationAssertion( "KEGG:C06266") AnnotationAssertion( "WebElements:B") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "boron") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "5B") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "B") @@ -9006,32 +6844,12 @@ SubClassOf( ObjectSomeValuesFrom( (oxirane) AnnotationAssertion( "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4O") -AnnotationAssertion( "InChI=1S/C2H4O/c1-2-3-1/h1-2H2") -AnnotationAssertion( "IAYPIBMASNFSPL-UHFFFAOYSA-N") -AnnotationAssertion( "44.05256") -AnnotationAssertion( "44.02621") -AnnotationAssertion( "C1CO1") AnnotationAssertion( "CHEBI:24001") AnnotationAssertion( "CHEBI:4900") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:102378") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:75-21-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:75-21-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:75-21-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:676") AnnotationAssertion( "HMDB:HMDB0031305") AnnotationAssertion( "KEGG:C06548") AnnotationAssertion( "KEGG:D03474") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11437638") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24313866") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24882394") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25005741") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3932500") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:102378") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0527") AnnotationAssertion( "Wikipedia:Oxirane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxirane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,2-Epoxyaethan") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,2-epoxyethane") @@ -9062,20 +6880,10 @@ SubClassOf( ObjectSomeValuesFrom( (carbon atom) -AnnotationAssertion( "0") -AnnotationAssertion( "C") -AnnotationAssertion( "InChI=1S/C") -AnnotationAssertion( "OKTJSMMVPCPJKN-UHFFFAOYSA-N") -AnnotationAssertion( "12.01070") -AnnotationAssertion( "12.00000") -AnnotationAssertion( "[C]") AnnotationAssertion( "CHEBI:23009") AnnotationAssertion( "CHEBI:3399") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-44-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-44-0") AnnotationAssertion( "KEGG:C06265") AnnotationAssertion( "WebElements:C") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbon") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "6C") AnnotationAssertion(Annotation( "IUPAC") "C") @@ -9095,25 +6903,13 @@ SubClassOf( ObjectSomeValuesFrom( (actinomycin D) -AnnotationAssertion( "0") -AnnotationAssertion( "C62H86N12O16") -AnnotationAssertion( "InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1") -AnnotationAssertion( "RJURFGZVJUQBHK-IIXSONLDSA-N") -AnnotationAssertion( "1255.41700") -AnnotationAssertion( "1254.62847") -AnnotationAssertion( "[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C") AnnotationAssertion( "CHEBI:22218") AnnotationAssertion( "CHEBI:2446") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4173766") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-76-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:50-76-0") AnnotationAssertion( "DrugBank:DB00970") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:774") AnnotationAssertion( "KEGG:C06770") AnnotationAssertion( "KEGG:D00214") AnnotationAssertion( "LINCS:LSM-5783") AnnotationAssertion( "Wikipedia:Dactinomycin") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Actinomycin D") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide") @@ -9130,23 +6926,10 @@ SubClassOf( ObjectSomeValuesFrom( (caffeine) AnnotationAssertion( "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.") -AnnotationAssertion( "0") -AnnotationAssertion( "C8H10N4O2") -AnnotationAssertion( "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3") -AnnotationAssertion( "RYYVLZVUVIJVGH-UHFFFAOYSA-N") -AnnotationAssertion( "194.19076") -AnnotationAssertion( "194.08038") -AnnotationAssertion( "Cn1cnc2n(C)c(=O)n(C)c(=O)c12") AnnotationAssertion( "CHEBI:22982") AnnotationAssertion( "CHEBI:3295") AnnotationAssertion( "CHEBI:41472") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:17705") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:58-08-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:58-08-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:58-08-2") AnnotationAssertion( "DrugBank:DB00201") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:463") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:103040") AnnotationAssertion( "HMDB:HMDB0001847") AnnotationAssertion( "KEGG:C07481") AnnotationAssertion( "KEGG:D00528") @@ -9154,76 +6937,7 @@ AnnotationAssertion( "LINCS:LSM-2026") AnnotationAssertion( "MetaCyc:1-3-7-TRIMETHYLXANTHINE") AnnotationAssertion( "PDBeChem:CFF") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10510174") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10796597") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10803761") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10822912") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10884512") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10924888") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10983026") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11014293") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11022879") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11209966") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11312039") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11410911") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11431501") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11815511") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11949272") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12397877") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12457274") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12574990") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12915014") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12943586") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14521986") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14607010") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15257305") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15280431") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15681408") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15718055") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15840517") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16143823") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16391865") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16528931") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16644114") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16709440") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16805851") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16856769") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17132260") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17387608") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17508167") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17724925") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17932622") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17957400") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18068204") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18258404") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18421070") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18513215") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18625110") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18647558") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19007524") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19047957") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19084078") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19088793") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19418355") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19879252") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20164568") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20470411") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22114686") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22770225") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23551936") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24039592") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7441110") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7689104") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8332255") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8347173") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8679661") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9063686") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9067318") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9132918") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9218278") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:17705") AnnotationAssertion( "Wikipedia:Caffeine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione") AnnotationAssertion(Annotation( "PDBeChem") "CAFFEINE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Caffeine") AnnotationAssertion(Annotation( "UniProt") "caffeine") @@ -9273,41 +6987,18 @@ SubClassOf( ObjectSomeValuesFrom( (1,2-dichloroethane) AnnotationAssertion( "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4Cl2") -AnnotationAssertion( "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2") -AnnotationAssertion( "WSLDOOZREJYCGB-UHFFFAOYSA-N") -AnnotationAssertion( "98.95856") -AnnotationAssertion( "97.96901") -AnnotationAssertion( "ClCCCl") AnnotationAssertion( "CHEBI:18881") AnnotationAssertion( "CHEBI:49557") AnnotationAssertion( "CHEBI:497") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:605264") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:107-06-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:107-06-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:107-06-2") AnnotationAssertion( "DrugBank:DB03733") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49272") AnnotationAssertion( "HMDB:HMDB0029571") AnnotationAssertion( "KEGG:C06752") AnnotationAssertion( "MetaCyc:12-DICHLOROETHANE") AnnotationAssertion( "PDBeChem:DCE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17564600") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18579268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24228488") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24329990") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24441515") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:31520740") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32830330") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33047531") AnnotationAssertion( "PPDB:2774") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:605264") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0001") AnnotationAssertion( "Wikipedia:1,2-Dichloroethane") AnnotationAssertion(Annotation( "PDBeChem") "1,2-DICHLOROETHANE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,2-Dichloroethane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1,2-dichloroethane") AnnotationAssertion(Annotation( "UniProt") "1,2-dichloroethane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,2-DCE") @@ -9333,57 +7024,23 @@ SubClassOf( ObjectSomeValuesFrom( (cisplatin) AnnotationAssertion( "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups).") -AnnotationAssertion( "0") -AnnotationAssertion( "Cl2H6N2Pt") -AnnotationAssertion( "H6Cl2N2Pt") -AnnotationAssertion( "InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2") -AnnotationAssertion( "LXZZYRPGZAFOLE-UHFFFAOYSA-L") -AnnotationAssertion( "300.04452") -AnnotationAssertion( "298.95560") -AnnotationAssertion( "[H][N]([H])([H])[Pt](Cl)(Cl)[N]([H])([H])[H]") AnnotationAssertion( "CHEBI:23314") AnnotationAssertion( "CHEBI:3722") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:15663-27-1") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:15663-27-1") AnnotationAssertion( "DrugBank:DB00515") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2519") AnnotationAssertion( "HMDB:HMDB0014656") AnnotationAssertion( "KEGG:C06911") AnnotationAssertion( "KEGG:D00275") AnnotationAssertion( "MetaCyc:CPD0-1392") AnnotationAssertion( "MolBase:25") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10883661") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12537968") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12831510") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12935404") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16327988") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18472761") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1855275") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23554447") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23604226") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23651576") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28494534") AnnotationAssertion( "Patent:DE2318020") AnnotationAssertion( "Patent:DE2329485") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:11324567") AnnotationAssertion( "Wikipedia:Cisplatin") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(SP-4-2)-diamminedichloridoplatinum") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(SP-4-2)-diamminedichloroplatinum") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cisplatin") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cis-diamminedichloridoplatinum(II)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cis-diamminedichloroplatinum(II)") AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "Briplatin") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "CDDP") -AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Cismaplat") -AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Lederplatin") -AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Neoplatin") AnnotationAssertion(Annotation( "ChemIDplus") "Peyrone's chloride") AnnotationAssertion(Annotation( "ChEBI") "Peyrone's salt") AnnotationAssertion(Annotation( "DrugBank") "Platamine") -AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Platinex") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Platinol") -AnnotationAssertion(Annotation( "DrugBank") Annotation( ) "Randa") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "[PtCl2(NH3)2]") AnnotationAssertion(Annotation( "ChemIDplus") "cis-DDP") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "cis-Diamminedichloroplatinum(II)") @@ -9392,10 +7049,6 @@ AnnotationAssertion(Annotation( "ChemIDplus") "cis-diammineplatinum(II) dichloride") AnnotationAssertion(Annotation( "ChemIDplus") "cis-dichlorodiammineplatinum(II)") AnnotationAssertion(Annotation( "ChEBI") "cis-platin") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "cisplatin") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "cisplatine") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "cisplatino") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "cisplatinum") AnnotationAssertion( "CHEBI:27899") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "cisplatin") @@ -9411,23 +7064,9 @@ SubClassOf( ObjectSomeValuesFrom( (tretamine) -AnnotationAssertion( "0") -AnnotationAssertion( "C9H12N6") -AnnotationAssertion( "InChI=1S/C9H12N6/c1-2-13(1)7-10-8(14-3-4-14)12-9(11-7)15-5-6-15/h1-6H2") -AnnotationAssertion( "IUCJMVBFZDHPDX-UHFFFAOYSA-N") -AnnotationAssertion( "204.23202") -AnnotationAssertion( "204.11234") -AnnotationAssertion( "C1CN1c1nc(nc(n1)N1CC1)N1CC1") AnnotationAssertion( "CHEBI:27109") AnnotationAssertion( "CHEBI:9708") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:242245") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:51-18-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:51-18-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:51-18-3") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2739") AnnotationAssertion( "KEGG:C07642") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:242245") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2,4,6-tri(aziridin-1-yl)-1,3,5-triazine") AnnotationAssertion(Annotation( "ChemIDplus") "tretamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2,4,6-tri(1-aziridinyl)-1,3,5-triazine") @@ -9447,28 +7086,12 @@ SubClassOf( ObjectSomeValuesFrom( (phenylalanine) AnnotationAssertion( "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)") -AnnotationAssertion( "COLNVLDHVKWLRT-UHFFFAOYSA-N") -AnnotationAssertion( "165.18918") -AnnotationAssertion( "165.07898") -AnnotationAssertion( "NC(Cc1ccccc1)C(O)=O") AnnotationAssertion( "CHEBI:25984") AnnotationAssertion( "CHEBI:8089") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1910407") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:150-30-1") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:150-30-1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:50836") AnnotationAssertion( "KEGG:C02057") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17439666") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22264337") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1910407") AnnotationAssertion( "Wikipedia:Phenylalanine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-amino-3-phenylpropanoic acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Phenylalanine") AnnotationAssertion(Annotation( "ChEBI") "phenylalanine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phenylalanine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "DL-Phenylalanine") AnnotationAssertion(Annotation( "ChEBI") "F") @@ -9489,34 +7112,15 @@ SubClassOf( ObjectSomeValuesFrom( (hesperetin) AnnotationAssertion( "A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.") -AnnotationAssertion( "0") -AnnotationAssertion( "C16H14O6") -AnnotationAssertion( "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1") -AnnotationAssertion( "AIONOLUJZLIMTK-AWEZNQCLSA-N") -AnnotationAssertion( "302.27880") -AnnotationAssertion( "302.07904") -AnnotationAssertion( "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1") AnnotationAssertion( "CHEBI:24529") AnnotationAssertion( "CHEBI:5681") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:92705") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:520-33-2") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:520-33-2") AnnotationAssertion( "DrugBank:DB01094") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1362") AnnotationAssertion( "HMDB:HMDB0005782") AnnotationAssertion( "KEGG:C01709") AnnotationAssertion( "KNApSAcK:C00000968") AnnotationAssertion( "LINCS:LSM-20933") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMPK12140003") AnnotationAssertion( "MetaCyc:CPD-7072") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16964766") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22409373") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22794525") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22899565") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22903244") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:92705") AnnotationAssertion( "Wikipedia:Hesperetin") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hesperetin") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(-)-(S)-hesperetin") @@ -9539,25 +7143,12 @@ SubClassOf( ObjectSomeValuesFrom( (dimethyl sulfoxide) AnnotationAssertion( "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H6OS") -AnnotationAssertion( "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3") -AnnotationAssertion( "IAZDPXIOMUYVGZ-UHFFFAOYSA-N") -AnnotationAssertion( "78.13444") -AnnotationAssertion( "78.01394") -AnnotationAssertion( "CS(C)=O") AnnotationAssertion( "CHEBI:23801") AnnotationAssertion( "CHEBI:42138") AnnotationAssertion( "CHEBI:4612") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:506008") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:67-68-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:67-68-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:67-68-5") AnnotationAssertion( "Chemspider:659") AnnotationAssertion( "DrugBank:DB01093") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:906") AnnotationAssertion( "FooDB:FDB000764") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1556") AnnotationAssertion( "HMDB:HMDB0002151") AnnotationAssertion( "KEGG:C11143") AnnotationAssertion( "KEGG:D01043") @@ -9565,57 +7156,17 @@ AnnotationAssertion( "LINCS:LSM-36361") AnnotationAssertion( "MetaCyc:DMSO") AnnotationAssertion( "PDBeChem:DMS") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10298633") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11162043") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11350866") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11474739") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12663039") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15237653") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15588915") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15868171") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16434015") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16522014") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19096138") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19382398") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19443933") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20828537") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21426213") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22030943") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22722716") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22768202") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22814967") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23050031") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23313473") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28220525") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29938311") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:31489176") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3510103") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3898376") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3916302") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:4223708") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:4556944") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:4963226") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6309056") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6379027") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:506008") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0236") AnnotationAssertion( "Wikipedia:Dimethyl_sulfoxide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(methanesulfinyl)methane") AnnotationAssertion(Annotation( "PDBeChem") "DIMETHYL SULFOXIDE") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dimethyl sulfoxide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dimethyl sulfoxide") AnnotationAssertion(Annotation( "UniProt") "dimethyl sulfoxide") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "(CH3)2SO") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "DMSO") AnnotationAssertion(Annotation( "ChEBI") "Dimethylsulfoxid") AnnotationAssertion(Annotation( "ChEBI") "S(O)Me2") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "dimethyl sulfoxide") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "dimethyl sulfur oxide") AnnotationAssertion(Annotation( "ChemIDplus") "dimethyl sulphoxide") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "dimethyli sulfoxidum") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "dimethylsulfoxyde") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "dimetil sulfoxido") AnnotationAssertion(Annotation( "IUPAC") "dmso") AnnotationAssertion(Annotation( "ChemIDplus") "methylsulfinylmethane") AnnotationAssertion(Annotation( "ChemIDplus") "sulfinylbis(methane)") @@ -9636,30 +7187,14 @@ SubClassOf( ObjectSomeValuesFrom( (1,2-dibromoethane) AnnotationAssertion( "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4Br2") -AnnotationAssertion( "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2") -AnnotationAssertion( "PAAZPARNPHGIKF-UHFFFAOYSA-N") -AnnotationAssertion( "187.86116") -AnnotationAssertion( "185.86798") -AnnotationAssertion( "BrCCBr") AnnotationAssertion( "CHEBI:18880") AnnotationAssertion( "CHEBI:496") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:605266") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:106-93-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:106-93-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:106-93-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1913") AnnotationAssertion( "HMDB:HMDB0060334") AnnotationAssertion( "KEGG:C11088") AnnotationAssertion( "MetaCyc:12-DIBROMOETHANE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10088182") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11312844") AnnotationAssertion( "PPDB:1484") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:605266") AnnotationAssertion( "Wikipedia:1,2-Dibromoethane") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,2-Dibromoethane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1,2-dibromoethane") AnnotationAssertion(Annotation( "UniProt") "1,2-dibromoethane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "DBE") @@ -9684,28 +7219,16 @@ SubClassOf( ObjectSomeValuesFrom( (carbamic acid) AnnotationAssertion( "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH3NO2") -AnnotationAssertion( "InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)") -AnnotationAssertion( "KXDHJXZQYSOELW-UHFFFAOYSA-N") -AnnotationAssertion( "61.04006") -AnnotationAssertion( "61.01638") -AnnotationAssertion( "NC(O)=O") AnnotationAssertion( "CHEBI:22504") AnnotationAssertion( "CHEBI:23002") AnnotationAssertion( "CHEBI:3386") AnnotationAssertion( "CHEBI:44573") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1734754") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:463-77-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:463-77-4") AnnotationAssertion( "DrugBank:DB04261") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:130345") AnnotationAssertion( "KEGG:C01563") AnnotationAssertion( "PDBeChem:OUT") AnnotationAssertion( "Wikipedia:Carbamic_acid") AnnotationAssertion(Annotation( "PDBeChem") "CARBAMIC ACID") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carbamic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Aminoameisensaeure") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aminoformic acid") @@ -9722,21 +7245,10 @@ SubClassOf( ObjectSomeValuesFrom( (phosphorus atom) -AnnotationAssertion( "0") -AnnotationAssertion( "P") -AnnotationAssertion( "InChI=1S/P") -AnnotationAssertion( "OAICVXFJPJFONN-UHFFFAOYSA-N") -AnnotationAssertion( "30.97376") -AnnotationAssertion( "30.97376") -AnnotationAssertion( "[P]") AnnotationAssertion( "CHEBI:26080") AnnotationAssertion( "CHEBI:8168") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7723-14-0") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7723-14-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16235") AnnotationAssertion( "KEGG:C06262") AnnotationAssertion( "WebElements:P") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphorus") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "15P") AnnotationAssertion(Annotation( "IUPAC") "P") @@ -9755,21 +7267,10 @@ SubClassOf( ObjectSomeValuesFrom( (copper atom) -AnnotationAssertion( "0") -AnnotationAssertion( "Cu") -AnnotationAssertion( "InChI=1S/Cu") -AnnotationAssertion( "RYGMFSIKBFXOCR-UHFFFAOYSA-N") -AnnotationAssertion( "63.54600") -AnnotationAssertion( "62.92960") -AnnotationAssertion( "[Cu]") AnnotationAssertion( "CHEBI:23376") AnnotationAssertion( "CHEBI:3874") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-50-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7440-50-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:16269") AnnotationAssertion( "KEGG:C00070") AnnotationAssertion( "WebElements:Cu") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "29Cu") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Copper") @@ -9791,23 +7292,12 @@ SubClassOf( ObjectSomeValuesFrom( (sodium fluoride) AnnotationAssertion( "A metal fluoride salt with a Na(+) counterion.") -AnnotationAssertion( "0") -AnnotationAssertion( "FNa") -AnnotationAssertion( "Na.F") -AnnotationAssertion( "InChI=1S/FH.Na/h1H;/q;+1/p-1") -AnnotationAssertion( "PUZPDOWCWNUUKD-UHFFFAOYSA-M") -AnnotationAssertion( "41.98817") -AnnotationAssertion( "41.98817") -AnnotationAssertion( "[F-].[Na+]") AnnotationAssertion( "CHEBI:26713") AnnotationAssertion( "CHEBI:9178") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7681-49-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7681-49-4") AnnotationAssertion( "KEGG:C08142") AnnotationAssertion( "KEGG:D00943") AnnotationAssertion( "Wikipedia:Sodium_Fluoride") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sodium fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium fluoride") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "NaF") AnnotationAssertion( "CHEBI:28741") @@ -9819,18 +7309,8 @@ SubClassOf( ObjectSomeValuesFrom( (hesperidin) AnnotationAssertion( "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.") -AnnotationAssertion( "0") -AnnotationAssertion( "C28H34O15") -AnnotationAssertion( "InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1") -AnnotationAssertion( "QUQPHWDTPGMPEX-QJBIFVCTSA-N") -AnnotationAssertion( "610.56056") -AnnotationAssertion( "610.18977") -AnnotationAssertion( "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1") AnnotationAssertion( "CHEBI:24530") AnnotationAssertion( "CHEBI:5682") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:75140") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:520-26-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:520-26-3") AnnotationAssertion( "DrugBank:DB04703") AnnotationAssertion( "HMDB:HMDB0003265") AnnotationAssertion( "KEGG:C09755") @@ -9838,9 +7318,7 @@ AnnotationAssertion( "KNApSAcK:C00000970") AnnotationAssertion( "LINCS:LSM-2858") AnnotationAssertion( "MetaCyc:CPD-7075") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:75140") AnnotationAssertion( "Wikipedia:Hesperidin") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hesperidin") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "(2S)-hesperidin") @@ -9865,40 +7343,14 @@ SubClassOf( ObjectSomeValuesFrom( (chlorambucil) AnnotationAssertion( "A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia.") -AnnotationAssertion( "0") -AnnotationAssertion( "C14H19Cl2NO2") -AnnotationAssertion( "InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)") -AnnotationAssertion( "JCKYGMPEJWAADB-UHFFFAOYSA-N") -AnnotationAssertion( "304.21160") -AnnotationAssertion( "303.07928") -AnnotationAssertion( "OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl") AnnotationAssertion( "CHEBI:25817") AnnotationAssertion( "CHEBI:3601") AnnotationAssertion( "CHEBI:48770") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:999011") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:305-03-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:305-03-3") AnnotationAssertion( "DrugBank:DB00291") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:588") AnnotationAssertion( "KEGG:D00266") AnnotationAssertion( "LINCS:LSM-2645") AnnotationAssertion( "PDBeChem:CBL") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22025197") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22978684") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23233721") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23295789") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23521128") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23665800") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23667729") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23683018") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23725434") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23822827") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24098639") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24147900") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24223689") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:999011") AnnotationAssertion( "Wikipedia:Chlorambucil") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid") AnnotationAssertion(Annotation( "PDBeChem") "CHLORAMBUCIL") AnnotationAssertion(Annotation( "KEGG_DRUG") "Chlorambucil") AnnotationAssertion( "chebi_ontology") @@ -9927,11 +7379,6 @@ SubClassOf( ObjectSomeValuesFrom( (flavanones) AnnotationAssertion( "Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives.") -AnnotationAssertion( "0") -AnnotationAssertion( "C15H2O2R10") -AnnotationAssertion( "214.176") -AnnotationAssertion( "214.00548") -AnnotationAssertion( "O1C2=C(C(C(C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)*") AnnotationAssertion( "CHEBI:13636") AnnotationAssertion( "CHEBI:24038") AnnotationAssertion( "CHEBI:24054") @@ -9949,16 +7396,10 @@ SubClassOf( (fatty acid anion) AnnotationAssertion( "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.00950") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") AnnotationAssertion( "CHEBI:13634") AnnotationAssertion( "CHEBI:24022") AnnotationAssertion( "CHEBI:4985") AnnotationAssertion( "KEGG:C02403") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18628202") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fatty acid anion") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkanate") @@ -9979,39 +7420,15 @@ SubClassOf( ObjectSomeValuesFrom( (melphalan) AnnotationAssertion( "A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.") -AnnotationAssertion( "0") -AnnotationAssertion( "C13H18Cl2N2O2") -AnnotationAssertion( "InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1") -AnnotationAssertion( "SGDBTWWWUNNDEQ-LBPRGKRZSA-N") -AnnotationAssertion( "305.20000") -AnnotationAssertion( "304.07453") -AnnotationAssertion( "N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O") AnnotationAssertion( "CHEBI:25815") AnnotationAssertion( "CHEBI:6742") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:148-82-3") -AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:148-82-3") AnnotationAssertion( "DrugBank:DB01042") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1678") AnnotationAssertion( "KEGG:D00369") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10820424") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10937717") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11680815") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11914777") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18481314") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:445303") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7494795") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7605343") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8552138") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8951232") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9218926") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9250538") AnnotationAssertion( "Patent:US108552") AnnotationAssertion( "Patent:US275057") AnnotationAssertion( "Patent:US3032584") AnnotationAssertion( "Patent:US3032585") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:2816456") AnnotationAssertion( "Wikipedia:Melphalan") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-[bis(2-chloroethyl)amino]-L-phenylalanine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine") AnnotationAssertion(Annotation( "ChemIDplus") "3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine") @@ -10022,9 +7439,6 @@ AnnotationAssertion(Annotation( "ChemIDplus") "L-Sarcolysine") AnnotationAssertion(Annotation( "ChemIDplus") "Phenylalanine mustard") AnnotationAssertion(Annotation( "ChemIDplus") "Phenylalanine nitrogen mustard") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "melfalano") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "melphalan") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "melphalanum") AnnotationAssertion(Annotation( "ChemIDplus") "p-Bis(beta-chloroethyl)aminophenylalanine") AnnotationAssertion(Annotation( "ChemIDplus") "p-Di-(2-chloroethyl)amino-L-phenylalanine") AnnotationAssertion(Annotation( "ChemIDplus") "p-L-Sarcolysin") @@ -10046,48 +7460,21 @@ SubClassOf( ObjectSomeValuesFrom( (busulfan) AnnotationAssertion( "A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6H14O6S2") -AnnotationAssertion( "InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3") -AnnotationAssertion( "COVZYZSDYWQREU-UHFFFAOYSA-N") -AnnotationAssertion( "246.30200") -AnnotationAssertion( "246.02318") -AnnotationAssertion( "CS(=O)(=O)OCCCCOS(C)(=O)=O") AnnotationAssertion( "CHEBI:18936") AnnotationAssertion( "CHEBI:3225") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1791786") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:55-98-1") -AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:55-98-1") AnnotationAssertion( "DrugBank:DB01008") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:438") AnnotationAssertion( "KEGG:C06862") AnnotationAssertion( "KEGG:D00248") AnnotationAssertion( "LINCS:LSM-5388") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10523796") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19361744") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19611402") AnnotationAssertion( "Patent:US2917432") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1791786") AnnotationAssertion( "Wikipedia:Busulfan") AnnotationAssertion(Annotation( "KEGG_DRUG") "Busulfan") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "butane-1,4-diyl dimethanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Bis(methanesulfonoxy)butane") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Butanediol dimethanesulfonate") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Dimesyloxybutane") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-Dimethanesulfonoxybutane") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Bisulfex") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Leucosulfan") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Mablin") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Mielucin") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Misulban") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Mitostan") -AnnotationAssertion(Annotation( "ChEBI") Annotation( ) "Myeloleukon") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "Myleran") AnnotationAssertion(Annotation( "ChemIDplus") "Tetramethylene bis(methanesulfonate)") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "busulfan") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "busulfano") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "busulfanum") AnnotationAssertion( "CHEBI:28901") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "busulfan") @@ -10102,46 +7489,15 @@ SubClassOf( ObjectSomeValuesFrom( (ammonium) AnnotationAssertion( "An onium cation obtained by protonation of ammonia.") -AnnotationAssertion( "+1") -AnnotationAssertion( "H4N") -AnnotationAssertion( "InChI=1S/H3N/h1H3/p+1") -AnnotationAssertion( "QGZKDVFQNNGYKY-UHFFFAOYSA-O") -AnnotationAssertion( "18.03850") -AnnotationAssertion( "18.03383") -AnnotationAssertion( "[H][N+]([H])([H])[H]") AnnotationAssertion( "CHEBI:22534") AnnotationAssertion( "CHEBI:49783") AnnotationAssertion( "CHEBI:7435") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14798-03-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14798-03-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:84") AnnotationAssertion( "KEGG:C01342") AnnotationAssertion( "MetaCyc:AMMONIUM") AnnotationAssertion( "MolBase:929") AnnotationAssertion( "PDBeChem:NH4") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11319011") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11341317") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12096804") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14512268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14879753") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16345391") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16903292") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17392693") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18515490") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19199063") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19596600") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19682559") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19716251") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21993530") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22265469") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22524020") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22562341") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22631217") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:16093784") AnnotationAssertion( "Wikipedia:Ammonium") AnnotationAssertion(Annotation( "ChEBI") "ammonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ammonium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Ammonium(1+)") AnnotationAssertion(Annotation( "IUPAC") "NH4(+)") @@ -10164,19 +7520,10 @@ SubClassOf( ObjectSomeValuesFrom( (fagaronine) -AnnotationAssertion( "+1") -AnnotationAssertion( "C21H20NO4") -AnnotationAssertion( "InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1") -AnnotationAssertion( "OOKZVPUCASIEBL-UHFFFAOYSA-O") -AnnotationAssertion( "350.38784") -AnnotationAssertion( "350.13868") -AnnotationAssertion( "COc1cc2c(ccc3c4cc(OC)c(OC)cc4c[n+](C)c23)cc1O") AnnotationAssertion( "CHEBI:24011") AnnotationAssertion( "CHEBI:4968") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:52259-65-1") AnnotationAssertion( "KEGG:C09438") AnnotationAssertion( "KNApSAcK:C00001857") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-hydroxy-3,8,9-trimethoxy-5-methylbenzo[c]phenanthridinium") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fagaronine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:28954") @@ -10188,11 +7535,6 @@ SubClassOf( ObjectSomeValuesFrom( (dicarboxylic acid dianion) AnnotationAssertion( "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid.") -AnnotationAssertion( "-2") -AnnotationAssertion( "C2O4R") -AnnotationAssertion( "88.019") -AnnotationAssertion( "87.97966") -AnnotationAssertion( "[O-]C(=O)[*]C([O-])=O") AnnotationAssertion( "CHEBI:13632") AnnotationAssertion( "CHEBI:23688") AnnotationAssertion( "CHEBI:23689") @@ -10211,25 +7553,13 @@ SubClassOf( (carbonic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "CH2O3") -AnnotationAssertion( "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)") -AnnotationAssertion( "BVKZGUZCCUSVTD-UHFFFAOYSA-N") -AnnotationAssertion( "62.02478") -AnnotationAssertion( "62.00039") -AnnotationAssertion( "OC(O)=O") AnnotationAssertion( "CHEBI:13351") AnnotationAssertion( "CHEBI:23017") AnnotationAssertion( "CHEBI:23744") AnnotationAssertion( "CHEBI:3401") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:463-79-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:463-79-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:25554") AnnotationAssertion( "KEGG:C01353") AnnotationAssertion( "PDBeChem:CO3") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carbonic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbonic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidooxidocarbon") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dihydrogen carbonate") AnnotationAssertion(Annotation( "IUPAC") "H2CO3") @@ -10247,25 +7577,10 @@ SubClassOf( ObjectSomeValuesFrom( (copper(2+)) AnnotationAssertion( "An ion of copper carrying a double positive charge.") -AnnotationAssertion( "+2") -AnnotationAssertion( "Cu") -AnnotationAssertion( "InChI=1S/Cu/q+2") -AnnotationAssertion( "JPVYNHNXODAKFH-UHFFFAOYSA-N") -AnnotationAssertion( "63.54600") -AnnotationAssertion( "62.92850") -AnnotationAssertion( "[Cu++]") AnnotationAssertion( "CHEBI:20882") AnnotationAssertion( "CHEBI:23380") AnnotationAssertion( "CHEBI:49550") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:15158-11-9") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:6855") AnnotationAssertion( "PDBeChem:CU") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23900424") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24168430") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3587177") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper(2+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper(2+) ion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "copper(II) cation") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "COPPER (II) ION") AnnotationAssertion(Annotation( "UniProt") "Cu(2+)") @@ -10285,11 +7600,6 @@ SubClassOf( ObjectSomeValuesFrom( (carboxylic acid anion) AnnotationAssertion( "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.00950") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") AnnotationAssertion( "CHEBI:13626") AnnotationAssertion( "CHEBI:13945") AnnotationAssertion( "CHEBI:23026") @@ -10308,25 +7618,11 @@ SubClassOf( ObjectSomeValuesFrom( (sodium(1+)) AnnotationAssertion( "A monoatomic monocation obtained from sodium.") -AnnotationAssertion( "+1") -AnnotationAssertion( "Na") -AnnotationAssertion( "InChI=1S/Na/q+1") -AnnotationAssertion( "FKNQFGJONOIPTF-UHFFFAOYSA-N") -AnnotationAssertion( "22.98977") -AnnotationAssertion( "22.98922") -AnnotationAssertion( "[Na+]") AnnotationAssertion( "CHEBI:26717") AnnotationAssertion( "CHEBI:49766") AnnotationAssertion( "CHEBI:9175") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:17341-25-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:17341-25-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:15196") AnnotationAssertion( "KEGG:C01330") AnnotationAssertion( "PDBeChem:NA") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium cation") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(1+) ion") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sodium(I) cation") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "Na(+)") AnnotationAssertion(Annotation( "UniProt") "Na(+)") @@ -10344,16 +7640,6 @@ SubClassOf( ObjectSomeValuesFrom( (sulfonic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "H2O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)") -AnnotationAssertion( "BDHFUVZGWQCTTF-UHFFFAOYSA-N") -AnnotationAssertion( "82.08008") -AnnotationAssertion( "81.97247") -AnnotationAssertion( "[H]S(O)(=O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1404640") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridohydroxidodioxidosulfur") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfonic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "HSHO3") AnnotationAssertion(Annotation( "ChEBI") "Sulfonsaeure") @@ -10370,23 +7656,8 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogen fluoride) AnnotationAssertion( "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "FH") -AnnotationAssertion( "InChI=1S/FH/h1H") -AnnotationAssertion( "KRHYYFGTRYWZRS-UHFFFAOYSA-N") -AnnotationAssertion( "20.00634") -AnnotationAssertion( "20.00623") -AnnotationAssertion( "F[H]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7664-39-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7664-39-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7664-39-3") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4499") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:166") AnnotationAssertion( "KEGG:C16487") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Hydrogen fluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluorane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoridohydrogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen fluoride") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fluoride") AnnotationAssertion(Annotation( "ChEBI") "Fluorwasserstoff") @@ -10406,16 +7677,6 @@ SubClassOf( ObjectSomeValuesFrom( (triton) AnnotationAssertion( "Nucleus of the (3)H atom.") -AnnotationAssertion( "+1") -AnnotationAssertion( "T") -AnnotationAssertion( "InChI=1S/p+1/i/hT") -AnnotationAssertion( "GPRLSGONYQIRFK-MNYXATJNSA-N") -AnnotationAssertion( "3.016") -AnnotationAssertion( "3.01550") -AnnotationAssertion( "[3H+]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:90855") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tritium(1+)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "triton") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(3)1H(+)") AnnotationAssertion(Annotation( "IUPAC") "(3)H(+)") @@ -10430,14 +7691,6 @@ SubClassOf( (tritium atom) AnnotationAssertion( "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third).") -AnnotationAssertion( "0") -AnnotationAssertion( "T") -AnnotationAssertion( "InChI=1S/H2/h1H/i1+2") -AnnotationAssertion( "UFHFLCQGNIYNRP-NJFSPNSNSA-N") -AnnotationAssertion( "3.016") -AnnotationAssertion( "3.01605") -AnnotationAssertion( "[3H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tritium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(3)1H") AnnotationAssertion(Annotation( "IUPAC") "(3)H") @@ -10454,17 +7707,6 @@ SubClassOf( ObjectSomeValuesFrom( (dihydrogenborate) -AnnotationAssertion( "-1") -AnnotationAssertion( "BH2O3") -AnnotationAssertion( "InChI=1S/BH2O3/c2-1(3)4/h2-3H/q-1") -AnnotationAssertion( "URSLCTBXQMKCFE-UHFFFAOYSA-N") -AnnotationAssertion( "60.82508") -AnnotationAssertion( "61.01025") -AnnotationAssertion( "[H]OB([O-])O[H]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49252") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen(trioxidoborate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogenborate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidooxidoborate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H2BO3(-)") AnnotationAssertion(Annotation( "IUPAC") "[BO(OH)2](-)") @@ -10477,17 +7719,6 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogenborate) -AnnotationAssertion( "-2") -AnnotationAssertion( "BHO3") -AnnotationAssertion( "InChI=1S/BHO3/c2-1(3)4/h2H/q-2") -AnnotationAssertion( "JSSGFLRDNVXLHY-UHFFFAOYSA-N") -AnnotationAssertion( "59.81714") -AnnotationAssertion( "60.00297") -AnnotationAssertion( "[H]OB([O-])[O-]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:674511") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(trioxidoborate)(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogenborate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidodioxidoborate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "HBO3(2-)") AnnotationAssertion(Annotation( "IUPAC") "[BO2(OH)](2-)") @@ -10514,16 +7745,6 @@ SubClassOf( ObjectSomeValuesFrom( (azanide) -AnnotationAssertion( "-1") -AnnotationAssertion( "H2N") -AnnotationAssertion( "InChI=1S/H2N/h1H2/q-1") -AnnotationAssertion( "HYGWNUKOUCZBND-UHFFFAOYSA-N") -AnnotationAssertion( "16.02262") -AnnotationAssertion( "16.01927") -AnnotationAssertion( "[H][N-][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydridonitrate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "NH2(-)") AnnotationAssertion( "CHEBI:29337") @@ -10537,15 +7758,6 @@ SubClassOf( ObjectSomeValuesFrom( (hydridonitrate(2-)) AnnotationAssertion( "A divalent inorganic anion resulting from the removal of two protons from ammonia.") -AnnotationAssertion( "-2") -AnnotationAssertion( "HN") -AnnotationAssertion( "InChI=1S/HN/h1H/q-2") -AnnotationAssertion( "DZQYTNGKSBCIOE-UHFFFAOYSA-N") -AnnotationAssertion( "15.01468") -AnnotationAssertion( "15.01200") -AnnotationAssertion( "[N--][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "azanediide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridonitrate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "NH(2-)") AnnotationAssertion(Annotation( "IUPAC") "imide") @@ -10559,11 +7771,6 @@ SubClassOf( ObjectSomeValuesFrom( (monocarboxylic acid amide) AnnotationAssertion( "A carboxamide derived from a monocarboxylic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CNOR3") -AnnotationAssertion( "42.01680") -AnnotationAssertion( "41.99799") -AnnotationAssertion( "[*]N([*])C([*])=O") AnnotationAssertion( "CHEBI:13211") AnnotationAssertion( "CHEBI:22207") AnnotationAssertion( "CHEBI:25383") @@ -10577,12 +7784,6 @@ SubClassOf( (nitro group) -AnnotationAssertion( "0") -AnnotationAssertion( "NO2") -AnnotationAssertion( "46.00550") -AnnotationAssertion( "45.99290") -AnnotationAssertion( "*[N+](=O)[O-]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitro") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-NO2") AnnotationAssertion( "CHEBI:29785") @@ -10594,34 +7795,12 @@ SubClassOf( (benzo[a]pyrene) AnnotationAssertion( "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.") -AnnotationAssertion( "0") -AnnotationAssertion( "C20H12") -AnnotationAssertion( "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H") -AnnotationAssertion( "FMMWHPNWAFZXNH-UHFFFAOYSA-N") -AnnotationAssertion( "252.30928") -AnnotationAssertion( "252.09390") -AnnotationAssertion( "c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34") AnnotationAssertion( "CHEBI:22716") AnnotationAssertion( "CHEBI:3045") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1911333") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-32-8") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:50-32-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:50-32-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:262573") AnnotationAssertion( "KEGG:C07535") AnnotationAssertion( "LINCS:LSM-2198") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11932001") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16256111") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16381670") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1844333") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26530167") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26703252") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7561049") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7721048") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1911333") AnnotationAssertion( "Wikipedia:Benzo(a)pyrene") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Benzo[a]pyrene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzo[pqr]tetraphene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(B(a)P)") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "3,4-BP") @@ -10640,16 +7819,8 @@ SubClassOf( ObjectSomeValuesFrom( (sulfo group) -AnnotationAssertion( "0") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96464") -AnnotationAssertion( "S(=O)(O)(*)=O") AnnotationAssertion( "PDBeChem:SFO") AnnotationAssertion(Annotation( "PDBeChem") "SULFO GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxydioxo-lambda(6)-sulfanyl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxysulfonyl") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfo") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-S(O)2(OH)") AnnotationAssertion( "CHEBI:29922") @@ -10661,20 +7832,10 @@ SubClassOf( ObjectSomeValuesFrom( (L-glutamate(1-)) AnnotationAssertion( "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group") -AnnotationAssertion( "-1") -AnnotationAssertion( "C5H8NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-VKHMYHEASA-M") -AnnotationAssertion( "146.12136") -AnnotationAssertion( "146.04588") -AnnotationAssertion( "[NH3+][C@@H](CCC([O-])=O)C([O-])=O") AnnotationAssertion( "CHEBI:13107") AnnotationAssertion( "CHEBI:21301") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:11070-68-1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:936654") AnnotationAssertion( "MetaCyc:GLT") AnnotationAssertion(Annotation( "JCBN") "L-glutamate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen L-glutamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2S)-2-ammoniopentanedioate") AnnotationAssertion(Annotation( "ChEBI") "L-glutamate") @@ -10696,19 +7857,10 @@ SubClassOf( ObjectSomeValuesFrom( (D-glutamate(1-)) AnnotationAssertion( "An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group") -AnnotationAssertion( "-1") -AnnotationAssertion( "C5H8NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-GSVOUGTGSA-M") -AnnotationAssertion( "146.12136") -AnnotationAssertion( "146.04588") -AnnotationAssertion( "[NH3+][C@H](CCC([O-])=O)C([O-])=O") AnnotationAssertion( "CHEBI:12979") AnnotationAssertion( "CHEBI:21022") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8319427") AnnotationAssertion( "MetaCyc:D-GLT") AnnotationAssertion(Annotation( "JCBN") "D-glutamate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen D-glutamate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2R)-2-ammoniopentanedioate") AnnotationAssertion(Annotation( "UniProt") "D-glutamate") @@ -10724,18 +7876,6 @@ SubClassOf( ObjectSomeValuesFrom( (glutamate(2-)) AnnotationAssertion( "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).") -AnnotationAssertion( "-2") -AnnotationAssertion( "C5H7NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2") -AnnotationAssertion( "WHUUTDBJXJRKMK-UHFFFAOYSA-L") -AnnotationAssertion( "145.11342") -AnnotationAssertion( "145.03860") -AnnotationAssertion( "NC(CCC([O-])=O)C([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4134100") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:327903") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4134100") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-aminopentanedioate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "glutamate") AnnotationAssertion(Annotation( "JCBN") "glutamate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "JCBN") "glutamic acid dianion") @@ -10749,16 +7889,6 @@ SubClassOf( ObjectSomeValuesFrom( (L-glutamate(2-)) AnnotationAssertion( "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid.") -AnnotationAssertion( "-2") -AnnotationAssertion( "C5H7NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-VKHMYHEASA-L") -AnnotationAssertion( "145.11342") -AnnotationAssertion( "145.03860") -AnnotationAssertion( "N[C@@H](CCC([O-])=O)C([O-])=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:327905") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-2-aminopentanedioate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-glutamate") AnnotationAssertion(Annotation( "JCBN") "L-glutamate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "JCBN") "L-glutamic acid dianion") @@ -10772,17 +7902,6 @@ SubClassOf( ObjectSomeValuesFrom( (D-glutamate(2-)) -AnnotationAssertion( "-2") -AnnotationAssertion( "C5H7NO4") -AnnotationAssertion( "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1") -AnnotationAssertion( "WHUUTDBJXJRKMK-GSVOUGTGSA-L") -AnnotationAssertion( "145.11342") -AnnotationAssertion( "145.03860") -AnnotationAssertion( "N[C@H](CCC([O-])=O)C([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:8143000") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:327904") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2R)-2-aminopentanedioate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-glutamate") AnnotationAssertion(Annotation( "JCBN") "D-glutamate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "JCBN") "D-glutamic acid dianion") @@ -10795,16 +7914,6 @@ SubClassOf( ObjectSomeValuesFrom( (guanidinium) -AnnotationAssertion( "+1") -AnnotationAssertion( "CH6N3") -AnnotationAssertion( "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1") -AnnotationAssertion( "ZRALSGWEFCBTJO-UHFFFAOYSA-O") -AnnotationAssertion( "60.07856") -AnnotationAssertion( "60.05562") -AnnotationAssertion( "NC(N)=[NH2+]") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1902006") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:239627") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "guanidinium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "[C(NH2)3](+)") AnnotationAssertion(Annotation( "IUPAC") "diaminomethaniminium") @@ -10818,9 +7927,6 @@ SubClassOf( ObjectSomeValuesFrom( (monoatomic dication) -AnnotationAssertion( "+2") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*++]") AnnotationAssertion( "CHEBI:23856") AnnotationAssertion( "CHEBI:4665") AnnotationAssertion( "KEGG:C00572") @@ -10836,58 +7942,20 @@ SubClassOf( (formic acid) AnnotationAssertion( "The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH2O2") -AnnotationAssertion( "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)") -AnnotationAssertion( "BDAGIHXWWSANSR-UHFFFAOYSA-N") -AnnotationAssertion( "46.02538") -AnnotationAssertion( "46.00548") -AnnotationAssertion( "[H]C(O)=O") AnnotationAssertion( "CHEBI:24082") AnnotationAssertion( "CHEBI:42460") AnnotationAssertion( "CHEBI:5145") AnnotationAssertion( "BPDB:1749") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1209246") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:64-18-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:64-18-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:64-18-6") AnnotationAssertion( "DrugBank:DB01942") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1008") AnnotationAssertion( "HMDB:HMDB0000142") AnnotationAssertion( "KEGG:C00058") AnnotationAssertion( "KNApSAcK:C00001182") -AnnotationAssertion(Annotation( "LIPID MAPS") "LIPID_MAPS_instance:LMFA01010040") AnnotationAssertion( "MetaCyc:FORMATE") AnnotationAssertion( "PDBeChem:FMT") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12591956") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14637377") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15811469") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16120414") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16185830") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16222862") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16230297") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16445901") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16465784") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18034701") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18397576") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22080171") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22280475") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22304812") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22385261") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22447125") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22483350") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22499553") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22540994") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22606986") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22622393") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3946945") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7361809") AnnotationAssertion( "Patent:CN101481304") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1209246") AnnotationAssertion( "Wikipedia:Formic_acid") AnnotationAssertion(Annotation( "PDBeChem") "FORMIC ACID") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Formic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "formic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "Acide formique") AnnotationAssertion(Annotation( "ChemIDplus") "Ameisensaeure") @@ -10914,17 +7982,11 @@ SubClassOf( ObjectSomeValuesFrom( (alcohol) AnnotationAssertion( "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "HOR") -AnnotationAssertion( "17.007") -AnnotationAssertion( "17.00274") -AnnotationAssertion( "O[*]") AnnotationAssertion( "CHEBI:13804") AnnotationAssertion( "CHEBI:22288") AnnotationAssertion( "CHEBI:2553") AnnotationAssertion( "KEGG:C00069") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alcohol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alcohols") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "an alcohol") AnnotationAssertion( "CHEBI:30879") @@ -10934,23 +7996,10 @@ SubClassOf( (aziridine) -AnnotationAssertion( "0") -AnnotationAssertion( "C2H5N") -AnnotationAssertion( "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2") -AnnotationAssertion( "NOWKCMXCCJGMRR-UHFFFAOYSA-N") -AnnotationAssertion( "43.06784") -AnnotationAssertion( "43.04220") -AnnotationAssertion( "C1CN1") AnnotationAssertion( "CHEBI:24004") AnnotationAssertion( "CHEBI:2954") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:102380") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:151-56-4") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:151-56-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:151-56-4") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:616") AnnotationAssertion( "KEGG:C11687") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aziridine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aziridine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "EI") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "azacyclopropane") @@ -10969,22 +8018,8 @@ SubClassOf( ObjectSomeValuesFrom( (valerate) AnnotationAssertion( "A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C5H9O2") -AnnotationAssertion( "InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1") -AnnotationAssertion( "NQPDZGIKBAWPEJ-UHFFFAOYSA-M") -AnnotationAssertion( "101.12376") -AnnotationAssertion( "101.06080") -AnnotationAssertion( "CCCCC([O-])=O") AnnotationAssertion( "CHEBI:14751") AnnotationAssertion( "CHEBI:25890") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3903735") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10023-74-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:325619") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17314444") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18783570") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:3903735") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pentanoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "CH3-[CH2]3-COO(-)") AnnotationAssertion(Annotation( "ChEBI") "n-propylacetate") @@ -11001,18 +8036,7 @@ SubClassOf( ObjectSomeValuesFrom( (cysteinate(1-)) AnnotationAssertion( "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C3H6NO2S") -AnnotationAssertion( "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1") -AnnotationAssertion( "XUJNEKJLAYXESH-UHFFFAOYSA-M") -AnnotationAssertion( "120.15128") -AnnotationAssertion( "120.01247") -AnnotationAssertion( "NC(CS)C([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4128885") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:363235") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4128885") AnnotationAssertion(Annotation( "JCBN") "cysteinate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen cysteinate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "2-amino-3-mercaptopropanoate") AnnotationAssertion(Annotation( "IUPAC") "2-amino-3-sulfanylpropanoate") @@ -11029,15 +8053,6 @@ SubClassOf( ObjectSomeValuesFrom( (cysteinate(2-)) -AnnotationAssertion( "-2") -AnnotationAssertion( "C3H5NO2S") -AnnotationAssertion( "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2") -AnnotationAssertion( "XUJNEKJLAYXESH-UHFFFAOYSA-L") -AnnotationAssertion( "119.14334") -AnnotationAssertion( "119.00520") -AnnotationAssertion( "NC(C[S-])C([O-])=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49990") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cysteinate") AnnotationAssertion(Annotation( "JCBN") "cysteinate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "2-amino-3-sulfidopropanoate") @@ -11050,15 +8065,6 @@ SubClassOf( ObjectSomeValuesFrom( (cysteinium) -AnnotationAssertion( "+1") -AnnotationAssertion( "C3H8NO2S") -AnnotationAssertion( "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1") -AnnotationAssertion( "XUJNEKJLAYXESH-UHFFFAOYSA-O") -AnnotationAssertion( "122.16716") -AnnotationAssertion( "122.02703") -AnnotationAssertion( "[NH3+]C(CS)C(O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:325859") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-carboxy-2-sulfanylethanaminium") AnnotationAssertion(Annotation( "JCBN") "cysteinium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "1-carboxy-2-mercaptoethanaminium") @@ -11074,18 +8080,6 @@ SubClassOf( ObjectSomeValuesFrom( (L-phenylalaninate) AnnotationAssertion( "An optically active form of phenylalaninate having L-configuration.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C9H10NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m0/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-QMMMGPOBSA-M") -AnnotationAssertion( "164.18120") -AnnotationAssertion( "164.07170") -AnnotationAssertion( "N[C@@H](Cc1ccccc1)C([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:4136718") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:329084") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21956539") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:4136718") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-phenylalaninate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2S)-2-amino-3-phenylpropanoate") AnnotationAssertion(Annotation( "JCBN") "L-phenylalanine anion") @@ -11103,15 +8097,6 @@ SubClassOf( ObjectSomeValuesFrom( (L-phenylalaninium) AnnotationAssertion( "An optically active form of phenylalaninium having L-configuration.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C9H12NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m0/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-QMMMGPOBSA-O") -AnnotationAssertion( "166.19710") -AnnotationAssertion( "166.08626") -AnnotationAssertion( "[NH3+][C@@H](Cc1ccccc1)C(O)=O") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21956539") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "L-phenylalaninium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(1S)-1-carboxy-2-phenylethanaminium") AnnotationAssertion(Annotation( "JCBN") "L-phenylalanine cation") @@ -11128,16 +8113,6 @@ SubClassOf( ObjectSomeValuesFrom( (D-phenylalaninate) AnnotationAssertion( "The D-enantiomer of phenylalaninate.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C9H10NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1/t8-/m1/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-MRVPVSSYSA-M") -AnnotationAssertion( "164.18120") -AnnotationAssertion( "164.07170") -AnnotationAssertion( "N[C@H](Cc1ccccc1)C([O-])=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:5740552") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:746993") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-phenylalaninate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2R)-2-amino-3-phenylpropanoate") AnnotationAssertion(Annotation( "JCBN") "D-phenylalanine anion") @@ -11151,14 +8126,6 @@ SubClassOf( ObjectSomeValuesFrom( (D-phenylalaninium) AnnotationAssertion( "An optically active form of phenylalaninium having D-configuration.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C9H12NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1/t8-/m1/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-MRVPVSSYSA-O") -AnnotationAssertion( "166.19710") -AnnotationAssertion( "166.08626") -AnnotationAssertion( "[NH3+][C@H](Cc1ccccc1)C(O)=O") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "D-phenylalaninium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(1R)-1-carboxy-2-phenylethanaminium") AnnotationAssertion(Annotation( "JCBN") "D-phenylalanine cation") @@ -11172,15 +8139,6 @@ SubClassOf( ObjectSomeValuesFrom( (phenylalaninate) AnnotationAssertion( "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C9H10NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1") -AnnotationAssertion( "COLNVLDHVKWLRT-UHFFFAOYSA-M") -AnnotationAssertion( "164.18120") -AnnotationAssertion( "164.07170") -AnnotationAssertion( "NC(Cc1ccccc1)C([O-])=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:329083") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phenylalaninate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "2-amino-3-phenylpropanoate") AnnotationAssertion(Annotation( "JCBN") "phenylalanine anion") @@ -11194,14 +8152,6 @@ SubClassOf( ObjectSomeValuesFrom( (phenylalaninium) AnnotationAssertion( "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C9H12NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1") -AnnotationAssertion( "COLNVLDHVKWLRT-UHFFFAOYSA-O") -AnnotationAssertion( "166.19710") -AnnotationAssertion( "166.08626") -AnnotationAssertion( "[NH3+]C(Cc1ccccc1)C(O)=O") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phenylalaninium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "1-carboxy-2-phenylethanaminium") AnnotationAssertion(Annotation( "JCBN") "phenylalanine cation") @@ -11214,19 +8164,12 @@ SubClassOf( ObjectSomeValuesFrom( (epoxide) AnnotationAssertion( "Any cyclic ether in which the oxygen atom forms part of a 3-membered ring.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2OR4") -AnnotationAssertion( "40.02080") -AnnotationAssertion( "39.99491") -AnnotationAssertion( "[*]C1([*])OC1([*])[*]") AnnotationAssertion( "CHEBI:13828") AnnotationAssertion( "CHEBI:23930") AnnotationAssertion( "CHEBI:4812") AnnotationAssertion( "KEGG:C00722") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10891060") AnnotationAssertion( "Wikipedia:Epoxide") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Epoxide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "epoxides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Alkene oxide") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Olefin oxide") @@ -11245,7 +8188,6 @@ AnnotationAssertion( "CHEBI:2633") AnnotationAssertion( "KEGG:C00241") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:32988") AnnotationAssertion( ) @@ -11254,23 +8196,10 @@ SubClassOf( (boric acid) -AnnotationAssertion( "0") -AnnotationAssertion( "BH3O3") -AnnotationAssertion( "InChI=1S/BH3O3/c2-1(3)4/h2-4H") -AnnotationAssertion( "KGBXLFKZBHKPEV-UHFFFAOYSA-N") -AnnotationAssertion( "61.83302") -AnnotationAssertion( "62.01752") -AnnotationAssertion( "[H]OB(O[H])O[H]") AnnotationAssertion( "CHEBI:22911") AnnotationAssertion( "CHEBI:31299") AnnotationAssertion( "CHEBI:41248") AnnotationAssertion( "BPDB:2136") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:10043-35-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:10043-35-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:10043-35-3") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:11113-50-1") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:3035") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1585") AnnotationAssertion( "KEGG:C12486") AnnotationAssertion( "KEGG:D01089") AnnotationAssertion( "MolBase:1644") @@ -11279,7 +8208,6 @@ AnnotationAssertion( "PDBeChem") "BORIC ACID") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Boric acid") AnnotationAssertion(Annotation( "IUPAC") "boric acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trihydroxidoboron") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "B(OH)3") AnnotationAssertion(Annotation( "IUPAC") "H3BO3") @@ -11337,7 +8265,6 @@ SubClassOf( (fundamental particle) AnnotationAssertion( "A particle not known to have substructure.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "elementary particle") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "elementary particles") AnnotationAssertion( "CHEBI:33233") @@ -11359,8 +8286,6 @@ SubClassOf( (coordination entity) AnnotationAssertion( "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "coordination entities") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "coordination entity") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "coordination compounds") AnnotationAssertion( "CHEBI:33240") @@ -11425,7 +8350,6 @@ SubClassOf( ObjectSomeValuesFrom( "A univalent group formed by removing a hydrogen atom from a hydrocarbon.") AnnotationAssertion(Annotation( "IUPAC") "hydrocarbyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrocarbyl groups") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "groupe hydrocarbyle") AnnotationAssertion(Annotation( "IUPAC") "grupo hidrocarbilo") @@ -11439,8 +8363,6 @@ SubClassOf( ObjectSomeValuesFrom( (organyl group) AnnotationAssertion( "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organyl group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organyl groups") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "groupe organyle") AnnotationAssertion(Annotation( "IUPAC") "grupo organilo") @@ -11455,7 +8377,6 @@ SubClassOf( "A chemical entity constituting the smallest component of an element having the chemical properties of the element.") AnnotationAssertion( "CHEBI:22671") AnnotationAssertion( "CHEBI:23907") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "atom") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "atome") AnnotationAssertion(Annotation( "IUPAC") "atomo") @@ -11472,13 +8393,6 @@ SubClassOf( ObjectSomeValuesFrom( (monoatomic hydrogen) -AnnotationAssertion( "0") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/H") -AnnotationAssertion( "YZCKVEUIGOORGS-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "[H]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "atomic hydrogen") AnnotationAssertion( "CHEBI:33251") @@ -11490,7 +8404,6 @@ SubClassOf( (atomic nucleus) AnnotationAssertion( "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nucleus") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Atomkern") AnnotationAssertion(Annotation( "ChEBI") "Kern") @@ -11510,7 +8423,6 @@ SubClassOf( ObjectSomeValuesFrom( "Heavy nuclear particle: proton or neutron.") AnnotationAssertion(Annotation( "IUPAC") "nucleon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nucleon") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Nukleon") AnnotationAssertion(Annotation( "ChEBI") "Nukleonen") @@ -11525,7 +8437,6 @@ SubClassOf( "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.") AnnotationAssertion(Annotation( "IUPAC") "primary amide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "primary amides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33256") AnnotationAssertion( ) @@ -11593,12 +8504,6 @@ SubClassOf( "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.") AnnotationAssertion( "CHEBI:22582") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12964249") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22117953") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22439833") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22849268") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22849276") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22958833") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Antibiotika") AnnotationAssertion(Annotation( "ChEBI") "Antibiotikum") @@ -11698,7 +8603,6 @@ SubClassOf( ObjectSomeValuesFrom( (pnictogen) AnnotationAssertion( "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "pnictogens") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "group 15 elements") AnnotationAssertion(Annotation( "ChEBI") "group V elements") @@ -11726,9 +8630,6 @@ SubClassOf( ObjectSomeValuesFrom( (chalcogen) AnnotationAssertion( "Any p-block element belonging to the group 16 family of the periodic table.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17084588") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chalcogen") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chalcogens") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Chalkogen") AnnotationAssertion(Annotation( "ChEBI") "Chalkogene") @@ -11760,7 +8661,6 @@ SubClassOf( ObjectSomeValuesFrom( (carbon group element atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 14 elements") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "carbon group element") AnnotationAssertion(Annotation( "ChEBI") "carbon group elements") @@ -11776,18 +8676,12 @@ SubClassOf( (carboxylic ester) AnnotationAssertion( "An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.") -AnnotationAssertion( "0") -AnnotationAssertion( "CO2R2") -AnnotationAssertion( "44.010") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[*]C(=O)O[*]") AnnotationAssertion( "CHEBI:13204") AnnotationAssertion( "CHEBI:23028") AnnotationAssertion( "CHEBI:3408") AnnotationAssertion( "KEGG:C02391") AnnotationAssertion( "Wikipedia:Ester") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Carboxylic ester") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic esters") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a carboxylic ester") AnnotationAssertion(Annotation( "ChEBI") "carboxylic acid esters") @@ -11799,7 +8693,6 @@ SubClassOf( (boron group element atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 13 elements") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Element der Borgruppe") AnnotationAssertion(Annotation( "ChEBI") "boron group element") @@ -11813,7 +8706,6 @@ SubClassOf( (main group element atom) AnnotationAssertion( "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "main group elements") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Hauptgruppenelement") AnnotationAssertion(Annotation( "ChEBI") "Hauptgruppenelemente") @@ -11826,7 +8718,6 @@ SubClassOf( (aryl group) AnnotationAssertion( "A group derived from an arene by removal of a hydrogen atom from a ring carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aryl groups") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Arylgruppe") AnnotationAssertion(Annotation( "IUPAC") "groupe aryle") @@ -11839,7 +8730,6 @@ SubClassOf( ObjectSomeValuesFrom( (nickel group element atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 10 elements") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "nickel group element") AnnotationAssertion(Annotation( "ChEBI") "nickel group elements") @@ -11851,17 +8741,7 @@ SubClassOf( (platinum) -AnnotationAssertion( "0") -AnnotationAssertion( "Pt") -AnnotationAssertion( "InChI=1S/Pt") -AnnotationAssertion( "BASFCYQUMIYNBI-UHFFFAOYSA-N") -AnnotationAssertion( "195.078") -AnnotationAssertion( "194.96479") -AnnotationAssertion( "[Pt]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7440-06-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7440-06-4") AnnotationAssertion( "WebElements:Pt") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "platinum") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "78Pt") AnnotationAssertion(Annotation( "ChEBI") "Platin") @@ -11891,7 +8771,6 @@ SubClassOf( (copper group element atom) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "group 11 elements") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "coinage metals") AnnotationAssertion(Annotation( "ChEBI") "copper group element") @@ -11916,7 +8795,6 @@ SubClassOf( (hydracid) AnnotationAssertion( "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydracid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "hydracids") AnnotationAssertion( "CHEBI:33405") @@ -11949,9 +8827,6 @@ SubClassOf( (monoatomic monoanion) -AnnotationAssertion( "-1") -AnnotationAssertion( "0.00000") -AnnotationAssertion( "[*-]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "monoatomic monoanions") AnnotationAssertion( "CHEBI:33429") @@ -11971,10 +8846,6 @@ SubClassOf( (monoatomic chlorine) -AnnotationAssertion( "0") -AnnotationAssertion( "Cl") -AnnotationAssertion( "35.453") -AnnotationAssertion( "34.96885") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "atomic chlorine") AnnotationAssertion( "CHEBI:33432") @@ -12006,7 +8877,6 @@ SubClassOf( "Arylmethyl groups and derivatives formed by substitution: ArCR2-.") AnnotationAssertion(Annotation( "IUPAC") "benzylic group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "benzylic groups") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "benzylic groups") AnnotationAssertion(Annotation( "IUPAC") "groupe benzylique") @@ -12125,7 +8995,6 @@ AnnotationAssertion( "CHEBI:25217") AnnotationAssertion( "CHEBI:6788") AnnotationAssertion( "KEGG:C00050") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21784043") AnnotationAssertion( "Wikipedia:Metal") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "elemental metal") @@ -12141,15 +9010,6 @@ SubClassOf( (sulfonate) AnnotationAssertion( "The sulfur oxoanion formed by deprotonation of sulfonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "HO3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1") -AnnotationAssertion( "BDHFUVZGWQCTTF-UHFFFAOYSA-M") -AnnotationAssertion( "81.07214") -AnnotationAssertion( "80.96519") -AnnotationAssertion( "[H]S([O-])(=O)=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:971569") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydridotrioxidosulfate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "SHO3(-)") AnnotationAssertion(Annotation( "IUPAC") "[SHO3](-)") @@ -12163,11 +9023,6 @@ SubClassOf( ObjectSomeValuesFrom( (organosulfonic acid) AnnotationAssertion( "An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon.") -AnnotationAssertion( "0") -AnnotationAssertion( "HO3SR") -AnnotationAssertion( "81.07100") -AnnotationAssertion( "80.96464") -AnnotationAssertion( "OS([*])(=O)=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organosulfonic acids") AnnotationAssertion(Annotation( "ChEBI") "sulfonic acids") @@ -12196,11 +9051,6 @@ SubClassOf( ObjectSomeValuesFrom( (organosulfonate oxoanion) AnnotationAssertion( "An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.") -AnnotationAssertion( "-1") -AnnotationAssertion( "O3SR") -AnnotationAssertion( "80.064") -AnnotationAssertion( "79.95681") -AnnotationAssertion( "*S([O-])(=O)=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organosulfonate") AnnotationAssertion(Annotation( "ChEBI") "organosulfonate oxoanions") @@ -12284,19 +9134,10 @@ SubClassOf( (carboxylic acid) AnnotationAssertion( "A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2R") -AnnotationAssertion( "45.01740") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") AnnotationAssertion( "CHEBI:13428") AnnotationAssertion( "CHEBI:13627") AnnotationAssertion( "CHEBI:23027") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17147560") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18433345") AnnotationAssertion( "Wikipedia:Carboxylic_acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Carbonsaeure") AnnotationAssertion(Annotation( "ChEBI") "Carbonsaeuren") @@ -12375,8 +9216,6 @@ SubClassOf( (homocyclic compound) AnnotationAssertion( "A cyclic compound having as ring members atoms of the same element only.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "homocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "homocyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "isocyclic compounds") AnnotationAssertion( "CHEBI:33597") @@ -12387,8 +9226,6 @@ SubClassOf( (carbocyclic compound) AnnotationAssertion( "A homocyclic compound in which all of the ring members are carbon atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbocyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "carbocycle") AnnotationAssertion( "CHEBI:33598") @@ -12441,7 +9278,6 @@ SubClassOf( (ortho-fused compound) AnnotationAssertion( "A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ortho-fused polycyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "ortho-fused compounds") AnnotationAssertion( "CHEBI:33637") @@ -12452,7 +9288,6 @@ SubClassOf( (ortho- and peri-fused compound) AnnotationAssertion( "A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ortho- and peri-fused polycyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "ortho- and peri-fused compounds") AnnotationAssertion( "CHEBI:33639") @@ -12463,7 +9298,6 @@ SubClassOf( (aliphatic compound) AnnotationAssertion( "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aliphatic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33653") AnnotationAssertion( ) @@ -12473,8 +9307,6 @@ SubClassOf( (aromatic compound) AnnotationAssertion( "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aromatic compounds") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aromatic molecular entity") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "aromatics") AnnotationAssertion(Annotation( "ChEBI") "aromatische Verbindungen") @@ -12486,8 +9318,6 @@ SubClassOf( (arene) AnnotationAssertion( "Any monocyclic or polycyclic aromatic hydrocarbon.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "arene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "arenes") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "aromatic hydrocarbons") AnnotationAssertion( "CHEBI:33658") @@ -12518,8 +9348,6 @@ SubClassOf( (annulene) AnnotationAssertion( "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "annulene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "annulenes") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33662") AnnotationAssertion( ) @@ -12540,7 +9368,6 @@ SubClassOf( (monocyclic hydrocarbon) AnnotationAssertion(Annotation( "ChEBI") "monocyclic hydrocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "monocyclic hydrocarbons") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "monocyclic hydrocarbons") AnnotationAssertion( "CHEBI:33664") @@ -12550,8 +9377,6 @@ SubClassOf( (polycyclic hydrocarbon) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "polycyclic hydrocarbon") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "polycyclic hydrocarbons") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33666") AnnotationAssertion( ) @@ -12561,8 +9386,6 @@ SubClassOf( (heteromonocyclic compound) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteromonocyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteromonocyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33670") AnnotationAssertion( ) @@ -12573,7 +9396,6 @@ SubClassOf( (heteropolycyclic compound) AnnotationAssertion( "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteropolycyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "polyheterocyclic compounds") AnnotationAssertion( "CHEBI:33671") @@ -12585,7 +9407,6 @@ SubClassOf( (heterobicyclic compound) AnnotationAssertion( "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterobicyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:33672") AnnotationAssertion( ) @@ -12645,7 +9466,6 @@ SubClassOf( (biomacromolecule) AnnotationAssertion( "A macromolecule formed by a living organism.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "biopolymer") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Biopolymere") AnnotationAssertion(Annotation( "ChEBI") "biomacromolecules") @@ -12673,7 +9493,6 @@ SubClassOf( (nucleic acid) AnnotationAssertion( "A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nucleic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "NA") AnnotationAssertion(Annotation( "ChEBI") "Nukleinsaeure") @@ -12714,18 +9533,12 @@ SubClassOf( (alpha-amino acid) AnnotationAssertion( "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.05870") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "NC([*])C(O)=O") AnnotationAssertion( "CHEBI:10208") AnnotationAssertion( "CHEBI:13779") AnnotationAssertion( "CHEBI:22442") AnnotationAssertion( "CHEBI:2642") AnnotationAssertion( "KEGG:C00045") AnnotationAssertion( "KEGG:C05167") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "alpha-amino acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amino acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amino acids") @@ -12742,7 +9555,6 @@ SubClassOf( ObjectSomeValuesFrom( (amino-acid residue) AnnotationAssertion( "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "amino-acid residue") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "amino acid residue") AnnotationAssertion(Annotation( "JCBN") "amino-acid residues") @@ -12847,7 +9659,6 @@ SubClassOf( "An organic compound having at least one hydroxy group attached to a carbon atom.") AnnotationAssertion( "CHEBI:64710") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxy compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organic alcohol") AnnotationAssertion(Annotation( "ChEBI") "organic hydroxy compounds") @@ -12871,7 +9682,6 @@ SubClassOf( (heteroarene) AnnotationAssertion( "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heteroarenes") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "hetarenes") AnnotationAssertion( "CHEBI:33833") @@ -12894,18 +9704,12 @@ SubClassOf( (nucleoside) AnnotationAssertion( "An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H8O3R2") -AnnotationAssertion( "116.115") -AnnotationAssertion( "116.04734") -AnnotationAssertion( "[C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO") AnnotationAssertion( "CHEBI:13661") AnnotationAssertion( "CHEBI:25611") AnnotationAssertion( "CHEBI:7647") AnnotationAssertion( "KEGG:C00801") AnnotationAssertion( "Wikipedia:Nucleoside") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Nucleoside") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nucleosides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a nucleoside") AnnotationAssertion(Annotation( "ChEBI") "nucleosides") @@ -12921,7 +9725,6 @@ SubClassOf( ObjectSomeValuesFrom( "A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.") AnnotationAssertion( "Wikipedia:Macromolecule") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "macromolecule") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "macromolecules") AnnotationAssertion(Annotation( "ChEBI") "polymer") @@ -12955,8 +9758,6 @@ SubClassOf( (polycyclic arene) AnnotationAssertion( "A polycyclic aromatic hydrocarbon.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15198916") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25679824") AnnotationAssertion( "Wikipedia:Polycyclic_aromatic_hydrocarbon") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "PAH") @@ -12974,11 +9775,6 @@ SubClassOf( ObjectSomeValuesFrom( (phenols) AnnotationAssertion( "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.") -AnnotationAssertion( "0") -AnnotationAssertion( "C6HOR5") -AnnotationAssertion( "89.072") -AnnotationAssertion( "89.00274") -AnnotationAssertion( "C1(=C(C(=C(C(=C1*)*)*)*)*)O") AnnotationAssertion( "CHEBI:13664") AnnotationAssertion( "CHEBI:13825") AnnotationAssertion( "CHEBI:25969") @@ -12986,7 +9782,6 @@ AnnotationAssertion( "KEGG:C15584") AnnotationAssertion( "MetaCyc:Phenols") AnnotationAssertion( "Wikipedia:Phenols") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phenols") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Aryl alcohol") AnnotationAssertion(Annotation( "UniProt") "a phenol") @@ -13000,10 +9795,6 @@ SubClassOf( (aromatic amino acid) AnnotationAssertion( "An amino acid whose structure includes an aromatic ring.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "88.085") -AnnotationAssertion( "74.02420") AnnotationAssertion( "CHEBI:13820") AnnotationAssertion( "CHEBI:22623") AnnotationAssertion( "CHEBI:2835") @@ -13082,7 +9873,6 @@ SubClassOf( (reagent) AnnotationAssertion( "A substance used in a chemical reaction to detect, measure, examine, or produce other substances.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "reagent") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "reactif") AnnotationAssertion(Annotation( "IUPAC") "reactivo") @@ -13117,37 +9907,9 @@ SubClassOf( ObjectSomeValuesFrom( (diethyl sulfate) AnnotationAssertion( "The diethyl ester of sulfuric acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H10O4S") -AnnotationAssertion( "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3") -AnnotationAssertion( "DENRZWYUOJLTMF-UHFFFAOYSA-N") -AnnotationAssertion( "154.180") -AnnotationAssertion( "154.02998") -AnnotationAssertion( "CCOS(=O)(=O)OCC") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:64-67-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:64-67-5") -AnnotationAssertion(Annotation( "Europe PMC") "CBA:310330") -AnnotationAssertion(Annotation( "Europe PMC") "CBA:374048") -AnnotationAssertion(Annotation( "Europe PMC") "CBA:593867") AnnotationAssertion( "Chemspider:5931") AnnotationAssertion( "HMDB:HMDB0251240") AnnotationAssertion( "KEGG:C14706") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15323041") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17619463") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20566339") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21089860") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21852824") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23830811") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24681631") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24686557") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25484124") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26591512") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2797029") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2927429") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29397772") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:29615826") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30417660") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3312952") AnnotationAssertion( "Wikipedia:Diethyl_sulfate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "DES") @@ -13171,23 +9933,8 @@ SubClassOf( ObjectSomeValuesFrom( (N-nitrosodiethylamine) AnnotationAssertion( "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H10N2O") -AnnotationAssertion( "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3") -AnnotationAssertion( "WBNQDOYYEUMPFS-UHFFFAOYSA-N") -AnnotationAssertion( "102.135") -AnnotationAssertion( "102.07931") -AnnotationAssertion( "CCN(CC)N=O") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1744991") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:55-18-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:55-18-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:55-18-5") AnnotationAssertion( "KEGG:C14422") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24696076") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24755254") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1744991") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "N-Nitrosodiethylamine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-ethyl-N-nitrosoethanamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,1-diethyl-2-oxohydrazine") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "DANA") @@ -13242,7 +9989,6 @@ SubClassOf( "A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.") AnnotationAssertion( "Wikipedia:Antimetabolite") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antimetabolite") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "antimetabolites") AnnotationAssertion( "CHEBI:35221") @@ -13253,7 +9999,6 @@ SubClassOf( (inhibitor) AnnotationAssertion( "A substance that diminishes the rate of a chemical reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "inhibitor") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "inhibidor") AnnotationAssertion(Annotation( "ChEBI") "inhibiteur") @@ -13266,7 +10011,6 @@ SubClassOf( (catalyst) AnnotationAssertion( "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "catalyst") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Katalysator") AnnotationAssertion(Annotation( "ChEBI") "catalizador") @@ -13278,15 +10022,6 @@ SubClassOf( (cysteine zwitterion) -AnnotationAssertion( "0") -AnnotationAssertion( "C3H7NO2S") -AnnotationAssertion( "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)") -AnnotationAssertion( "XUJNEKJLAYXESH-UHFFFAOYSA-N") -AnnotationAssertion( "121.15922") -AnnotationAssertion( "121.01975") -AnnotationAssertion( "[NH3+]C(CS)C([O-])=O") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:49992") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-ammonio-3-sulfanylpropanoate") AnnotationAssertion(Annotation( "IUPAC") "cysteine zwitterion") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(+)H3N-CH(CH2SH)-COO(-)") @@ -13381,18 +10116,8 @@ SubClassOf( (dibenz[a,h]anthracene) -AnnotationAssertion( "0") -AnnotationAssertion( "C22H14") -AnnotationAssertion( "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H") -AnnotationAssertion( "LHRCREOYAASXPZ-UHFFFAOYSA-N") -AnnotationAssertion( "278.34656") -AnnotationAssertion( "278.10955") -AnnotationAssertion( "c1ccc2c(c1)ccc1cc3c(ccc4ccccc34)cc21") AnnotationAssertion( "CHEBI:18901") AnnotationAssertion( "CHEBI:34684") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:53-70-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:53-70-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:53-70-3") AnnotationAssertion( "KEGG:C14325") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Dibenz[a,h]anthracene") AnnotationAssertion( "chebi_ontology") @@ -13434,7 +10159,6 @@ SubClassOf( (organonitrogen compound) AnnotationAssertion( "Any heteroorganic entity containing at least one carbon-nitrogen bond.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "organonitrogen compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organonitrogens") AnnotationAssertion( "CHEBI:35352") @@ -13447,7 +10171,6 @@ SubClassOf( "Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom.") AnnotationAssertion( "KEGG:C06060") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxamidines") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Amidines") AnnotationAssertion(Annotation( "ChEBI") "carboxamidines") @@ -13460,21 +10183,12 @@ SubClassOf( (fatty acid) AnnotationAssertion( "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids.") -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2R") -AnnotationAssertion( "45.01740") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "OC([*])=O") AnnotationAssertion( "CHEBI:13633") AnnotationAssertion( "CHEBI:24024") AnnotationAssertion( "CHEBI:4984") AnnotationAssertion( "KEGG:C00162") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14287444") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14300208") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14328676") AnnotationAssertion( "Wikipedia:Fatty_acid") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Fatty acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fatty acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Fettsaeure") AnnotationAssertion(Annotation( "ChEBI") "Fettsaeuren") @@ -13566,7 +10280,6 @@ SubClassOf( (anthelminthic drug) AnnotationAssertion( "Substance intended to kill parasitic worms (helminths).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "anthelminthic") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "anthelminthics") AnnotationAssertion(Annotation( "IUPAC") "anthelmintic") @@ -13669,7 +10382,6 @@ SubClassOf( (heterocyclic organic fundamental parent) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterocyclic parent hydrides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "heterocyclic fundamental parent") AnnotationAssertion(Annotation( "ChEBI") "heterocyclic organic fundamental parents") @@ -13682,7 +10394,6 @@ SubClassOf( (mancude ring) AnnotationAssertion( "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "mancude-ring systems") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "mancude rings") AnnotationAssertion(Annotation( "IUPAC") "mancunide-ring systems") @@ -13727,16 +10438,9 @@ SubClassOf( (purine) AnnotationAssertion( "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4") -AnnotationAssertion( "120.112") -AnnotationAssertion( "120.04360") AnnotationAssertion( "HMDB:HMDB0001366") AnnotationAssertion( "KEGG:C15587") AnnotationAssertion( "MetaCyc:PURINE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12865945") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24088627") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "purine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:35584") AnnotationAssertion( ) @@ -13748,14 +10452,6 @@ SubClassOf( ObjectSomeValuesFrom( (1H-purine) AnnotationAssertion( "The 1H-tautomer of purine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4") -AnnotationAssertion( "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)") -AnnotationAssertion( "KDCGOANMDULRCW-UHFFFAOYSA-N") -AnnotationAssertion( "120.11210") -AnnotationAssertion( "120.04360") -AnnotationAssertion( "c1nc2c[nH]cnc2n1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2379911") AnnotationAssertion(Annotation( "ChEBI") "1H-purine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:35586") @@ -13769,18 +10465,6 @@ SubClassOf( ObjectSomeValuesFrom( (3H-purine) AnnotationAssertion( "The 3H-tautomer of purine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4") -AnnotationAssertion( "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)") -AnnotationAssertion( "KDCGOANMDULRCW-UHFFFAOYSA-N") -AnnotationAssertion( "120.11222") -AnnotationAssertion( "120.04360") -AnnotationAssertion( "c1nc2cnc[nH]c2n1") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6149478") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7178185") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7296170") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1210196") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3H-purine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:35588") AnnotationAssertion( ) @@ -13793,18 +10477,7 @@ SubClassOf( ObjectSomeValuesFrom( (9H-purine) AnnotationAssertion( "The 9H-tautomer of purine.") -AnnotationAssertion( "0") -AnnotationAssertion( "C5H4N4") -AnnotationAssertion( "InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)") -AnnotationAssertion( "KDCGOANMDULRCW-UHFFFAOYSA-N") -AnnotationAssertion( "120.11222") -AnnotationAssertion( "120.04360") -AnnotationAssertion( "c1ncc2nc[nH]c2n1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:606899") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:120-73-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:3120") AnnotationAssertion( "Wikipedia:Purine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "9H-purine") AnnotationAssertion(Annotation( "UniProt") "9H-purine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:35589") @@ -13868,12 +10541,6 @@ SubClassOf( (naphthol) AnnotationAssertion( "A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H8O") -AnnotationAssertion( "144.170") -AnnotationAssertion( "144.05751") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:1321-67-1") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "naphthalenol") AnnotationAssertion(Annotation( "IUPAC") "naphthol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "hydroxynaphthalene") @@ -13941,27 +10608,11 @@ SubClassOf( (diethyl ether) AnnotationAssertion( "An ether in which the oxygen atom is linked to two ethyl groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H10O") -AnnotationAssertion( "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3") -AnnotationAssertion( "RTZKZFJDLAIYFH-UHFFFAOYSA-N") -AnnotationAssertion( "74.12160") -AnnotationAssertion( "74.07316") -AnnotationAssertion( "CCOCC") AnnotationAssertion( "CHEBI:23991") AnnotationAssertion( "CHEBI:31565") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1696894") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:60-29-7") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:60-29-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:60-29-7") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4417") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:25444") AnnotationAssertion( "KEGG:C13240") AnnotationAssertion( "KEGG:D01772") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24443836") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1696894") AnnotationAssertion( "Wikipedia:Diethyl_ether") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1,1'-oxydiethane") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Diethyl ether") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,1'-oxybisethane") @@ -13995,8 +10646,6 @@ AnnotationAssertion( "KEGG:C06708") AnnotationAssertion( "Wikipedia:Xenobiotic") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Xenobiotic") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "xenobiotic") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "xenobiotics") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "xenobiotic compounds") AnnotationAssertion( "CHEBI:35703") @@ -14019,7 +10668,6 @@ SubClassOf( (nitro compound) AnnotationAssertion( "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitro compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:35715") AnnotationAssertion( ) @@ -14030,11 +10678,6 @@ SubClassOf( ObjectSomeValuesFrom( (monocarboxylic acid anion) AnnotationAssertion( "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.01000") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") AnnotationAssertion( "CHEBI:13657") AnnotationAssertion( "CHEBI:25382") AnnotationAssertion( "CHEBI:3407") @@ -14078,12 +10721,6 @@ SubClassOf( ObjectSomeValuesFrom( (nitroso group) -AnnotationAssertion( "0") -AnnotationAssertion( "NO") -AnnotationAssertion( "30.00614") -AnnotationAssertion( "29.99799") -AnnotationAssertion( "O=N*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitroso") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-N=O") AnnotationAssertion(Annotation( "IUPAC") "O=N-") @@ -14096,11 +10733,6 @@ SubClassOf( (nitrosamine) AnnotationAssertion( "N-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant.") -AnnotationAssertion( "0") -AnnotationAssertion( "N2OR2") -AnnotationAssertion( "44.01280") -AnnotationAssertion( "44.00106") -AnnotationAssertion( "[*]N([*])N=O") AnnotationAssertion( "Wikipedia:Nitrosamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "N-Nitroso amines") @@ -14112,38 +10744,16 @@ SubClassOf( (N-nitrosodimethylamine) -AnnotationAssertion( "0") -AnnotationAssertion( "C2H6N2O") -AnnotationAssertion( "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3") -AnnotationAssertion( "UMFJAHHVKNCGLG-UHFFFAOYSA-N") -AnnotationAssertion( "74.08192") -AnnotationAssertion( "74.04801") -AnnotationAssertion( "CN(C)N=O") AnnotationAssertion( "CHEBI:21778") AnnotationAssertion( "CHEBI:34874") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:62-75-9") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:62-75-9") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:62-75-9") AnnotationAssertion( "FooDB:FDB003496") AnnotationAssertion( "HMDB:HMDB0031419") AnnotationAssertion( "KEGG:C14704") AnnotationAssertion( "MetaCyc:CPD-18996") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:10688537") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15647563") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15672376") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16640298") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25556763") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:32836149") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:33849366") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34247699") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34546846") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8318659") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8951235") AnnotationAssertion( "PPDB:1645") AnnotationAssertion( "Wikipedia:N-Nitrosodimethylamine") AnnotationAssertion(Annotation( "ChemIDplus") "N-Nitrosodimethylamine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "N-Nitrosodimethylamine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-methyl-N-nitrosomethanamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1,1-Dimethyl-2-oxohydrazine") AnnotationAssertion(Annotation( "ChemIDplus") "DMN") @@ -14256,7 +10866,6 @@ AnnotationAssertion( "CHEBI:26517") AnnotationAssertion( "Wikipedia:Quinone") AnnotationAssertion(Annotation( "IUPAC") "quinone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "quinones") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Chinon") AnnotationAssertion(Annotation( "ChEBI") "quinones") @@ -14272,7 +10881,6 @@ AnnotationAssertion( "CHEBI:4654") AnnotationAssertion( "KEGG:C01911") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Disaccharide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "disaccharides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Disaccharid") AnnotationAssertion(Annotation( "ChEBI") "Disacharid") @@ -14318,7 +10926,6 @@ SubClassOf( (fermion) AnnotationAssertion( "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fermion") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "fermions") AnnotationAssertion( "CHEBI:36340") @@ -14359,7 +10966,6 @@ SubClassOf( (nuclear particle) AnnotationAssertion( "A nucleus or any of its constituents in any of their energy states.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nuclear particle") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:36347") AnnotationAssertion( ) @@ -14433,22 +11039,7 @@ SubClassOf( (acridine) AnnotationAssertion( "A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "C13H9N") -AnnotationAssertion( "InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H") -AnnotationAssertion( "DZBUGLKDJFMEHC-UHFFFAOYSA-N") -AnnotationAssertion( "179.21730") -AnnotationAssertion( "179.07350") -AnnotationAssertion( "c1ccc2nc3ccccc3cc2c1") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:120200") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:260-94-6") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:260-94-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:143403") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11924543") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24416442") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:120200") AnnotationAssertion( "Wikipedia:Acridine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acridine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "10-azaanthracene") AnnotationAssertion(Annotation( "ChemIDplus") "2,3,5,6-dibenzopyridine") @@ -14469,7 +11060,6 @@ SubClassOf( ObjectSomeValuesFrom( (carbonyl compound) AnnotationAssertion( "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbonyl compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:36586") AnnotationAssertion( ) @@ -14481,7 +11071,6 @@ SubClassOf( ObjectSomeValuesFrom( (organic oxo compound) AnnotationAssertion( "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxo compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organic oxo compounds") AnnotationAssertion( "CHEBI:36587") @@ -14493,11 +11082,6 @@ SubClassOf( ObjectSomeValuesFrom( (organochlorine compound) AnnotationAssertion( "An organochlorine compound is a compound containing at least one carbon-chlorine bond.") -AnnotationAssertion( "0") -AnnotationAssertion( "ClR") -AnnotationAssertion( "35.453") -AnnotationAssertion( "34.96885") -AnnotationAssertion( "*Cl") AnnotationAssertion( "MetaCyc:Chlorides") AnnotationAssertion( "Wikipedia:Organochloride") AnnotationAssertion(Annotation( "ChEBI") "organochlorine compound") @@ -14519,7 +11103,6 @@ SubClassOf( (heterotricyclic compound) AnnotationAssertion(Annotation( "ChEBI") "heterotricyclic compound") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "heterotricyclic compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "heterotricyclic compounds") AnnotationAssertion( "CHEBI:36688") @@ -14540,7 +11123,6 @@ SubClassOf( (monoanion) -AnnotationAssertion( "-1") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "monoanions") AnnotationAssertion( "CHEBI:36830") @@ -14558,10 +11140,6 @@ SubClassOf( (monoatomic fluorine) -AnnotationAssertion( "0") -AnnotationAssertion( "F") -AnnotationAssertion( "18.998") -AnnotationAssertion( "18.99840") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "atomic fluorine") AnnotationAssertion( "CHEBI:36895") @@ -14597,7 +11175,6 @@ AnnotationAssertion( "KEGG:C01373") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cation") AnnotationAssertion(Annotation( "ChEBI") "cation") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cation") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Kation") AnnotationAssertion(Annotation( "ChEBI") "Kationen") @@ -14611,7 +11188,6 @@ SubClassOf( (chalcocarbonic acid) AnnotationAssertion(Annotation( "ChEBI") "chalcocarbonic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chalcocarbonic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "chalcocarbonic acids") AnnotationAssertion( "CHEBI:36961") @@ -14634,7 +11210,6 @@ SubClassOf( (organooxygen compound) AnnotationAssertion( "An organochalcogen compound containing at least one carbon-oxygen bond.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17586126") AnnotationAssertion(Annotation( "ChEBI") "organooxygen compound") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organooxygen compounds") @@ -14660,11 +11235,6 @@ SubClassOf( ObjectSomeValuesFrom( (organobromine compound) AnnotationAssertion( "A compound containing at least one carbon-bromine bond.") -AnnotationAssertion( "0") -AnnotationAssertion( "BrR") -AnnotationAssertion( "79.904") -AnnotationAssertion( "78.91834") -AnnotationAssertion( "*Br") AnnotationAssertion( "MetaCyc:Bromide") AnnotationAssertion( "Wikipedia:Organobromine_compound") AnnotationAssertion(Annotation( "ChEBI") "organobromine compound") @@ -14685,11 +11255,6 @@ SubClassOf( (organofluorine compound) AnnotationAssertion( "An organofluorine compound is a compound containing at least one carbon-fluorine bond.") -AnnotationAssertion( "0") -AnnotationAssertion( "FR") -AnnotationAssertion( "18.998") -AnnotationAssertion( "18.99840") -AnnotationAssertion( "*F") AnnotationAssertion( "MetaCyc:Fluorides") AnnotationAssertion(Annotation( "ChEBI") "organofluorine compound") AnnotationAssertion( "chebi_ontology") @@ -14715,7 +11280,6 @@ SubClassOf( (mononuclear parent hydride) -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "mononuclear parent hydrides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "mononuclear hydride") AnnotationAssertion(Annotation( "IUPAC") "mononuclear hydrides") @@ -14762,8 +11326,6 @@ SubClassOf( "Any ether in which the oxygen atom forms part of a ring.") AnnotationAssertion( "CHEBI:37406") AnnotationAssertion(Annotation( "IUPAC") "cyclic ether") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclic ethers") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "epoxy compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "cyclic ethers") AnnotationAssertion(Annotation( "ChEBI") "epoxy compounds") @@ -14778,7 +11340,6 @@ SubClassOf( "A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units.") AnnotationAssertion( "CHEBI:24074") AnnotationAssertion( "CHEBI:24076") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "folates") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "folate") AnnotationAssertion(Annotation( "ChEBI") "folates") @@ -14799,7 +11360,6 @@ AnnotationAssertion( "CHEBI:2426") AnnotationAssertion( "KEGG:C00174") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Saeure") AnnotationAssertion(Annotation( "ChEBI") "Saeuren") @@ -14836,15 +11396,6 @@ SubClassOf( (N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine) -AnnotationAssertion( "0") -AnnotationAssertion( "C21H25Cl2N3O") -AnnotationAssertion( "InChI=1S/C21H25Cl2N3O/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)") -AnnotationAssertion( "OIFINQAUHKZSBV-UHFFFAOYSA-N") -AnnotationAssertion( "406.34822") -AnnotationAssertion( "405.13747") -AnnotationAssertion( "CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:498343") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:37594") AnnotationAssertion( ) @@ -14853,17 +11404,7 @@ SubClassOf( (quinacrine mustard) -AnnotationAssertion( "0") -AnnotationAssertion( "C23H28Cl3N3O") -AnnotationAssertion( "InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)") -AnnotationAssertion( "UKOBAUFLOGFCMV-UHFFFAOYSA-N") -AnnotationAssertion( "468.84614") -AnnotationAssertion( "467.12980") -AnnotationAssertion( "COc1ccc2nc3cc(Cl)ccc3c(NC(C)CCCN(CCCl)CCCl)c2c1") AnnotationAssertion( "CHEBI:47635") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:56337") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:64046-79-3") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N(1),N(1)-bis(2-chloroethyl)-N(4)-(6-chloro-2-methoxyacridin-9-yl)pentane-1,4-diamine") AnnotationAssertion(Annotation( "ChemIDplus") "quinacrine mustard") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:37595") @@ -14877,7 +11418,6 @@ SubClassOf( ObjectSomeValuesFrom( "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR.") AnnotationAssertion( "Wikipedia:Nitrogen_mustard") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitrogen mustards") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "nitrogen mustard compound") AnnotationAssertion(Annotation( "ChEBI") "nitrogen mustard compounds") @@ -14891,14 +11431,8 @@ SubClassOf( ObjectSomeValuesFrom( (carboxamide) AnnotationAssertion( "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.") -AnnotationAssertion( "0") -AnnotationAssertion( "CNOR3") -AnnotationAssertion( "42.01680") -AnnotationAssertion( "41.99799") -AnnotationAssertion( "[*]C(=O)N([*])[*]") AnnotationAssertion( "CHEBI:35354") AnnotationAssertion( "CHEBI:35355") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxamides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "carboxamides") AnnotationAssertion(Annotation( "ChEBI") "primary carboxamide") @@ -14923,25 +11457,11 @@ SubClassOf( (butane) AnnotationAssertion( "A straight chain alkane composed of 4 carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H10") -AnnotationAssertion( "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3") -AnnotationAssertion( "IJDNQMDRQITEOD-UHFFFAOYSA-N") -AnnotationAssertion( "58.12220") -AnnotationAssertion( "58.07825") -AnnotationAssertion( "CCCC") AnnotationAssertion( "CHEBI:22945") AnnotationAssertion( "CHEBI:25462") AnnotationAssertion( "CHEBI:44430") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:969129") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:106-97-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:106-97-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1148") AnnotationAssertion( "PDBeChem:NBU") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24179026") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:969129") AnnotationAssertion( "Wikipedia:Butane") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "butane") AnnotationAssertion(Annotation( "UniProt") "butane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "E 943a") @@ -14974,8 +11494,6 @@ SubClassOf( ObjectSomeValuesFrom( (carboacyl group) AnnotationAssertion( "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboacyl groups") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxylic acyl group") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "carboxylic acyl groups") AnnotationAssertion( "CHEBI:37838") @@ -15012,17 +11530,7 @@ SubClassOf( (phosphorus-32 atom) AnnotationAssertion( "The radioactive isotope of phosphorus with relative atomic mass 31.973907 and half-life of 14.26 days.") -AnnotationAssertion( "0") -AnnotationAssertion( "[32P]") -AnnotationAssertion( "InChI=1S/P/i1+1") -AnnotationAssertion( "OAICVXFJPJFONN-OUBTZVSYSA-N") -AnnotationAssertion( "31.974") -AnnotationAssertion( "31.97391") -AnnotationAssertion( "[32P]") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:14596-37-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:14596-37-3") AnnotationAssertion( "KEGG:C19162") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "phosphorus-32") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(32)15P") AnnotationAssertion(Annotation( "IUPAC") "(32)P") @@ -15103,7 +11611,6 @@ SubClassOf( (oxacycle) AnnotationAssertion( "Any organic heterocyclic compound containing at least one ring oxygen atom.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17134300") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "heterocyclic organooxygen compounds") AnnotationAssertion(Annotation( "ChEBI") "organooxygen heterocyclic compounds") @@ -15258,11 +11765,6 @@ SubClassOf( (flavans) AnnotationAssertion( "Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives.") -AnnotationAssertion( "0") -AnnotationAssertion( "C15OR14") -AnnotationAssertion( "196.160") -AnnotationAssertion( "195.99491") -AnnotationAssertion( "[*]c1c([*])c([*])c(c([*])c1[*])C1([*])Oc2c([*])c([*])c([*])c([*])c2C([*])([*])C1([*])[*]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:38672") AnnotationAssertion( ) @@ -15325,7 +11827,6 @@ SubClassOf( (N-nitro compound) AnnotationAssertion( "A compound having the nitro group (-NO2) attached to a nitrogen atom.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-nitro compounds") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:38780") AnnotationAssertion( ) @@ -15334,10 +11835,6 @@ SubClassOf( (pteroate) -AnnotationAssertion( "0") -AnnotationAssertion( "C14H11N6O3") -AnnotationAssertion( "311.276") -AnnotationAssertion( "311.08926") AnnotationAssertion( "CHEBI:37074") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:38793") @@ -15348,12 +11845,7 @@ SubClassOf( ObjectSomeValuesFrom( (pteroic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "C14H12N6O3") -AnnotationAssertion( "312.284") -AnnotationAssertion( "312.09709") AnnotationAssertion( "CHEBI:26378") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:119-24-4") AnnotationAssertion( "DrugBank:DB04196") AnnotationAssertion(Annotation( "ChemIDplus") "Pteroic acid") AnnotationAssertion( "chebi_ontology") @@ -15407,7 +11899,6 @@ SubClassOf( (anaesthetic) AnnotationAssertion( "Substance which produces loss of feeling or sensation.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "anaesthetic") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Anaesthetika") AnnotationAssertion(Annotation( "ChEBI") "Anaesthetikum") @@ -15423,7 +11914,6 @@ SubClassOf( (general anaesthetic) AnnotationAssertion( "Substance that produces loss of consciousness.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "general anaesthetic") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Allgemeinanaesthetika") AnnotationAssertion(Annotation( "ChEBI") "Allgemeinanaesthetikum") @@ -15499,7 +11989,6 @@ SubClassOf( (Bronsted acid) AnnotationAssertion( "A molecular entity capable of donating a hydron to an acceptor (Bronsted base).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Bronsted acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Bronsted-Saeure") AnnotationAssertion(Annotation( "IUPAC") "acide de Bronsted") @@ -15514,7 +12003,6 @@ SubClassOf( (Bronsted base) AnnotationAssertion( "A molecular entity capable of accepting a hydron from a donor (Bronsted acid).") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Bronsted base") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Bronsted-Base") AnnotationAssertion(Annotation( "IUPAC") "accepteur d'hydron") @@ -15529,7 +12017,6 @@ SubClassOf( (Lewis base) AnnotationAssertion( "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "Lewis base") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Lewis-Base") AnnotationAssertion(Annotation( "IUPAC") "base de Lewis") @@ -15544,14 +12031,7 @@ SubClassOf( (nitroguanidine) AnnotationAssertion( "An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH4N4O2") -AnnotationAssertion( "104.068") -AnnotationAssertion( "104.03343") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:556-88-7") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:556-88-7") AnnotationAssertion( "Wikipedia:Nitroguanidine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "nitroguanidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "picrite") AnnotationAssertion( "CHEBI:39179") @@ -15597,7 +12077,6 @@ SubClassOf( (straight-chain saturated fatty acid) AnnotationAssertion( "Any saturated fatty acid lacking a side-chain.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15644336") AnnotationAssertion(Annotation( "ChEBI") "straight-chain saturated fatty acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "straight-chain saturated fatty acids") @@ -15634,23 +12113,10 @@ SubClassOf( (dihydrogenphosphate) AnnotationAssertion( "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated.") -AnnotationAssertion( "-1") -AnnotationAssertion( "H2O4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-M") -AnnotationAssertion( "96.98724") -AnnotationAssertion( "96.96962") -AnnotationAssertion( "[H]OP([O-])(=O)O[H]") AnnotationAssertion( "CHEBI:29137") AnnotationAssertion( "CHEBI:39739") AnnotationAssertion( "DrugBank:DB02831") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1999") AnnotationAssertion( "PDBeChem:2HP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen(tetraoxidophosphate)(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogenphosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogentetraoxophosphate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogentetraoxophosphate(V)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidodioxidophosphate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "DIHYDROGENPHOSPHATE ION") AnnotationAssertion(Annotation( "IUPAC") "H2PO4(-)") @@ -15667,7 +12133,6 @@ SubClassOf( ObjectSomeValuesFrom( "KEGG:C02019") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Cyclic ketone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "cyclic ketones") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:3992") AnnotationAssertion( ) @@ -15677,29 +12142,9 @@ SubClassOf( (butane-1,4-diol) AnnotationAssertion( "A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF).") -AnnotationAssertion( "0") -AnnotationAssertion( "C4H10O2") -AnnotationAssertion( "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2") -AnnotationAssertion( "WERYXYBDKMZEQL-UHFFFAOYSA-N") -AnnotationAssertion( "90.12100") -AnnotationAssertion( "90.06808") -AnnotationAssertion( "OCCCCO") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:110-63-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:110-63-4") AnnotationAssertion( "DrugBank:DB01955") AnnotationAssertion( "PDBeChem:BU1") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11803699") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15298490") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16193534") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17854202") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:18203723") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19915428") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:20112336") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21548140") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21602812") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1633445") AnnotationAssertion( "Wikipedia:1,4-Butanediol") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "butane-1,4-diol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-BD") AnnotationAssertion(Annotation( "PDBeChem") "1,4-BUTANEDIOL") @@ -15721,21 +12166,10 @@ SubClassOf( ObjectSomeValuesFrom( (carbonate) -AnnotationAssertion( "-2") -AnnotationAssertion( "CO3") -AnnotationAssertion( "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2") -AnnotationAssertion( "BVKZGUZCCUSVTD-UHFFFAOYSA-L") -AnnotationAssertion( "60.00890") -AnnotationAssertion( "59.98584") -AnnotationAssertion( "[O-]C([O-])=O") AnnotationAssertion( "CHEBI:29201") AnnotationAssertion( "CHEBI:41605") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:3600898") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:3812-32-6") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1559") AnnotationAssertion( "PDBeChem:CO3") AnnotationAssertion(Annotation( "IUPAC") "carbonate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxidocarbonate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "PDBeChem") "CARBONATE ION") AnnotationAssertion(Annotation( "ChEBI") "CO3(2-)") @@ -15750,26 +12184,10 @@ SubClassOf( ObjectSomeValuesFrom( (ethane) AnnotationAssertion( "An alkane comprising of two carbon atoms.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H6") -AnnotationAssertion( "InChI=1S/C2H6/c1-2/h1-2H3") -AnnotationAssertion( "OTMSDBZUPAUEDD-UHFFFAOYSA-N") -AnnotationAssertion( "30.06904") -AnnotationAssertion( "30.04695") -AnnotationAssertion( "CC") AnnotationAssertion( "CHEBI:23975") AnnotationAssertion( "CHEBI:42260") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1730716") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:74-84-0") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:74-84-0") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:212") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12826252") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:14664856") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16236899") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1730716") AnnotationAssertion( "Wikipedia:Ethane") AnnotationAssertion(Annotation( "PDBeChem") "ETHANE") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "ethane") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Aethan") AnnotationAssertion(Annotation( "ChEBI") "C2H6") @@ -15790,18 +12208,10 @@ SubClassOf( ObjectSomeValuesFrom( (formyl group) -AnnotationAssertion( "0") -AnnotationAssertion( "CHO") -AnnotationAssertion( "29.01804") -AnnotationAssertion( "29.00274") -AnnotationAssertion( "[H]C(*)=O") AnnotationAssertion( "CHEBI:24089") AnnotationAssertion( "CHEBI:42480") AnnotationAssertion( "PDBeChem:FOR") AnnotationAssertion(Annotation( "PDBeChem") "FORMYL GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aldehyde group") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbaldehyde") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "formyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-CH(O)") AnnotationAssertion(Annotation( "IUPAC") "-CHO") @@ -15817,27 +12227,12 @@ SubClassOf( ObjectSomeValuesFrom( (guanidine) AnnotationAssertion( "An aminocarboxamidine, the parent compound of the guanidines.") -AnnotationAssertion( "0") -AnnotationAssertion( "CH5N3") -AnnotationAssertion( "InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)") -AnnotationAssertion( "ZRALSGWEFCBTJO-UHFFFAOYSA-N") -AnnotationAssertion( "59.07062") -AnnotationAssertion( "59.04835") -AnnotationAssertion( "NC(N)=N") AnnotationAssertion( "CHEBI:24435") AnnotationAssertion( "CHEBI:42816") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:506044") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:113-00-8") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:113-00-8") AnnotationAssertion( "DrugBank:DB00536") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1344") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:100679") AnnotationAssertion( "PDBeChem:GAI") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8070089") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:506044") AnnotationAssertion( "Wikipedia:Guanidine") AnnotationAssertion(Annotation( "PDBeChem") "GUANIDINE") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "guanidine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Gu") AnnotationAssertion(Annotation( "IUPAC") "H2N-C(=NH)-NH2") @@ -15854,16 +12249,10 @@ SubClassOf( ObjectSomeValuesFrom( (hydroxy group) -AnnotationAssertion( "0") -AnnotationAssertion( "HO") -AnnotationAssertion( "17.00734") -AnnotationAssertion( "17.00274") -AnnotationAssertion( "*O[H]") AnnotationAssertion( "CHEBI:24706") AnnotationAssertion( "CHEBI:43171") AnnotationAssertion( "PDBeChem:OH") AnnotationAssertion(Annotation( "PDBeChem") "HYDROXY GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxy") AnnotationAssertion(Annotation( "UniProt") "hydroxy group") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-OH") @@ -15886,24 +12275,11 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogenphosphate) AnnotationAssertion( "A phosphate ion that is the conjugate base of dihydrogenphosphate.") -AnnotationAssertion( "-2") -AnnotationAssertion( "HO4P") -AnnotationAssertion( "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2") -AnnotationAssertion( "NBIIXXVUZAFLBC-UHFFFAOYSA-L") -AnnotationAssertion( "95.97930") -AnnotationAssertion( "95.96234") -AnnotationAssertion( "OP([O-])([O-])=O") AnnotationAssertion( "CHEBI:29139") AnnotationAssertion( "CHEBI:43470") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1998") AnnotationAssertion( "MolBase:1628") AnnotationAssertion( "PDBeChem:PI") AnnotationAssertion( "PDBeChem:PO4") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(tetraoxidophosphate)(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogenphosphate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxophosphate(2-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxophosphate(V)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidotrioxidophosphate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "HPO4(2-)") AnnotationAssertion(Annotation( "PDBeChem") "HYDROGENPHOSPHATE ION") @@ -15924,22 +12300,9 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogensulfate) -AnnotationAssertion( "-1") -AnnotationAssertion( "HO4S") -AnnotationAssertion( "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1") -AnnotationAssertion( "QAOWNCQODCNURD-UHFFFAOYSA-M") -AnnotationAssertion( "97.07154") -AnnotationAssertion( "96.96010") -AnnotationAssertion( "[H]OS([O-])(=O)=O") AnnotationAssertion( "CHEBI:29199") AnnotationAssertion( "CHEBI:45693") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:2121") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen(tetraoxidosulfate)(1-)") AnnotationAssertion(Annotation( "IUPAC") "hydrogensulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogensulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxosulfate(1-)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogentetraoxosulfate(VI)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydroxidotrioxidosulfate(1-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "HSO4(-)") AnnotationAssertion(Annotation( "PDBeChem") "HYDROGEN SULFATE") @@ -15953,16 +12316,10 @@ SubClassOf( ObjectSomeValuesFrom( (oxo group) -AnnotationAssertion( "0") -AnnotationAssertion( "O") -AnnotationAssertion( "15.99940") -AnnotationAssertion( "15.99491") -AnnotationAssertion( "O=*") AnnotationAssertion( "CHEBI:29353") AnnotationAssertion( "CHEBI:44607") AnnotationAssertion( "PDBeChem:O") AnnotationAssertion(Annotation( "PDBeChem") "OXO GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oxo") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "=O") AnnotationAssertion( "CHEBI:46629") @@ -15998,29 +12355,14 @@ SubClassOf( (2-methoxyethanol) AnnotationAssertion( "A hydroxyether that is ethanol substituted by a methoxy group at position 2.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H8O2") -AnnotationAssertion( "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3") -AnnotationAssertion( "XNWFRZJHXBZDAG-UHFFFAOYSA-N") -AnnotationAssertion( "76.09442") -AnnotationAssertion( "76.05243") -AnnotationAssertion( "COCCO") AnnotationAssertion( "CHEBI:19677") AnnotationAssertion( "CHEBI:44217") -AnnotationAssertion(Annotation( "ChemIDplus") "Beilstein:1731074") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:109-86-4") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:109-86-4") AnnotationAssertion( "DrugBank:DB02806") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:81877") AnnotationAssertion( "MetaCyc:2-METHOXYETHANOL") AnnotationAssertion( "PDBeChem:MXE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11354470") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24399739") AnnotationAssertion( "PPDB:1639") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1731074") AnnotationAssertion( "Wikipedia:2-Methoxyethanol") AnnotationAssertion(Annotation( "PDBeChem") "2-METHOXYETHANOL") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-methoxyethanol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-hydroxy-2-methoxyethane") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "2-hydroxyethyl methyl ether") @@ -16040,16 +12382,10 @@ SubClassOf( ObjectSomeValuesFrom( (carboxy group) -AnnotationAssertion( "0") -AnnotationAssertion( "CHO2") -AnnotationAssertion( "45.01744") -AnnotationAssertion( "44.99765") -AnnotationAssertion( "*C(=O)O") AnnotationAssertion( "CHEBI:23025") AnnotationAssertion( "CHEBI:41420") AnnotationAssertion( "PDBeChem:FMT") AnnotationAssertion(Annotation( "PDBeChem") "CARBOXY GROUP") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboxy") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-C(O)OH") AnnotationAssertion(Annotation( "ChEBI") "-CO2H") @@ -16182,7 +12518,6 @@ SubClassOf( (polar solvent) AnnotationAssertion( "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "polar solvent") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "polar solvents") AnnotationAssertion( "CHEBI:48354") @@ -16201,7 +12536,6 @@ SubClassOf( (protic solvent) AnnotationAssertion( "A polar solvent that is capable of acting as a hydron (proton) donor.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "protogenic solvent") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:48356") AnnotationAssertion( ) @@ -16220,7 +12554,6 @@ SubClassOf( (polar aprotic solvent) AnnotationAssertion( "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dipolar aprotic solvent") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:48358") AnnotationAssertion( ) @@ -16230,16 +12563,6 @@ SubClassOf( (carbamimidic acid) -AnnotationAssertion( "0") -AnnotationAssertion( "CH4N2O") -AnnotationAssertion( "InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)") -AnnotationAssertion( "XSQUKJJJFZCRTK-UHFFFAOYSA-N") -AnnotationAssertion( "60.05534") -AnnotationAssertion( "60.03236") -AnnotationAssertion( "NC(O)=N") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:773698") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:4744-36-9") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carbamimidic acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H2N-C(=NH)-OH") AnnotationAssertion(Annotation( "IUPAC") "H2N-C(OH)=NH") @@ -16260,7 +12583,6 @@ SubClassOf( ObjectSomeValuesFrom( "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH).") AnnotationAssertion(Annotation( "ChEBI") "imidic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "imidic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "imidic acids") AnnotationAssertion(Annotation( "IUPAC") "imino acids") @@ -16273,7 +12595,6 @@ SubClassOf( (carboximidic acid) AnnotationAssertion(Annotation( "ChEBI") "carboximidic acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "carboximidic acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "carboximidic acids") AnnotationAssertion( "CHEBI:48378") @@ -16285,7 +12606,6 @@ SubClassOf( (isourea) AnnotationAssertion( "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "isoureas") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "isoureas") AnnotationAssertion( "CHEBI:48379") @@ -16317,7 +12637,6 @@ SubClassOf( (antagonist) AnnotationAssertion( "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "antagonist") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "antagonista") AnnotationAssertion(Annotation( "ChEBI") "antagoniste") @@ -16329,26 +12648,12 @@ SubClassOf( (sulfurous acid) -AnnotationAssertion( "0") -AnnotationAssertion( "H2O3S") -AnnotationAssertion( "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)") -AnnotationAssertion( "LSNNMFCWUKXFEE-UHFFFAOYSA-N") -AnnotationAssertion( "82.08008") -AnnotationAssertion( "81.97247") -AnnotationAssertion( "OS(O)=O") AnnotationAssertion( "CHEBI:26837") AnnotationAssertion( "CHEBI:9344") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7782-99-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1458") AnnotationAssertion( "KEGG:C00094") AnnotationAssertion( "KNApSAcK:C00019662") AnnotationAssertion( "PDBeChem:SO3") -AnnotationAssertion(Annotation( "UM-BBD") "UM-BBD_compID:c0348") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Sulfurous acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydrogen trioxosulfate") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "dihydroxidooxidosulfur") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfurous acid") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trioxosulfuric acid") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H2SO3") AnnotationAssertion(Annotation( "IUPAC") "S(O)(OH)2") @@ -16398,10 +12703,6 @@ SubClassOf( (N-acyl-L-alpha-amino acid) AnnotationAssertion( "Any L-alpha-amino acid carrying an N-acyl substituent.") -AnnotationAssertion( "0") -AnnotationAssertion( "C3H3NO3R2") -AnnotationAssertion( "101.061") -AnnotationAssertion( "101.01129") AnnotationAssertion( "CHEBI:13240") AnnotationAssertion( "CHEBI:7232") AnnotationAssertion( "KEGG:C02850") @@ -16416,17 +12717,9 @@ SubClassOf( ObjectSomeValuesFrom( (hydrogen atom) -AnnotationAssertion( "0") -AnnotationAssertion( "H") -AnnotationAssertion( "InChI=1S/H") -AnnotationAssertion( "YZCKVEUIGOORGS-UHFFFAOYSA-N") -AnnotationAssertion( "1.00794") -AnnotationAssertion( "1.00783") -AnnotationAssertion( "[H]") AnnotationAssertion( "CHEBI:24634") AnnotationAssertion( "CHEBI:49636") AnnotationAssertion( "WebElements:H") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hydrogen") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "1H") AnnotationAssertion(Annotation( "IUPAC") "H") @@ -16458,31 +12751,11 @@ SubClassOf( ObjectSomeValuesFrom( (N-methyl-N-nitrosourea) AnnotationAssertion( "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H5N3O2") -AnnotationAssertion( "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)") -AnnotationAssertion( "ZRKWMRDKSOPRRS-UHFFFAOYSA-N") -AnnotationAssertion( "103.08012") -AnnotationAssertion( "103.03818") -AnnotationAssertion( "CN(N=O)C(N)=O") AnnotationAssertion( "CHEBI:25565") AnnotationAssertion( "CHEBI:34843") AnnotationAssertion( "CHEBI:50101") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1756040") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:684-93-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:684-93-5") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:684-93-5") AnnotationAssertion( "KEGG:C14595") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11479921") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:12767522") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:15990165") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19181008") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24441676") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6243984") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8098217") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8603364") AnnotationAssertion( "Wikipedia:N-Methyl-N-nitrosourea") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-methyl-1-nitrosourea") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "N-Methyl-N-nitrosourea") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "1-(aminocarbonyl)-1-methyl-2-oxohydrazine") @@ -16541,27 +12814,6 @@ SubClassOf( (prodrug) AnnotationAssertion( "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23993918") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23998799") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24329110") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24628402") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24709544") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25144792") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25157234") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25269430") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25391982") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25591121") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25620096") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25795057") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26028253") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26184144") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28070577") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28215138") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28219047") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28259775") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28319647") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28329729") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:28334528") AnnotationAssertion( "Wikipedia:Prodrug") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "Prodrugs") @@ -16636,7 +12888,6 @@ SubClassOf( (onium cation) AnnotationAssertion( "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "onium cations") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "onium cations") AnnotationAssertion(Annotation( "ChEBI") "onium ion") @@ -16648,15 +12899,6 @@ SubClassOf( (fluoronium) -AnnotationAssertion( "+1") -AnnotationAssertion( "FH2") -AnnotationAssertion( "InChI=1S/FH2/h1H2/q+1") -AnnotationAssertion( "YNESUKSMQODWNS-UHFFFAOYSA-N") -AnnotationAssertion( "21.01428") -AnnotationAssertion( "21.01350") -AnnotationAssertion( "[H][F+][H]") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoranium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "fluoronium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H2F(+)") AnnotationAssertion(Annotation( "ChEBI") "[FH2](+)") @@ -16668,16 +12910,6 @@ SubClassOf( ObjectSomeValuesFrom( (chloronium) -AnnotationAssertion( "+1") -AnnotationAssertion( "ClH2") -AnnotationAssertion( "InChI=1S/ClH2/h1H2/q+1") -AnnotationAssertion( "IGJWHVUMEJASKV-UHFFFAOYSA-N") -AnnotationAssertion( "37.46858") -AnnotationAssertion( "36.98395") -AnnotationAssertion( "[H][Cl+][H]") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:331") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chloranium") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "chloronium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "H2Cl(+)") AnnotationAssertion(Annotation( "IUPAC") "[ClH2](+)") @@ -16721,12 +12953,6 @@ SubClassOf( (sulfanylmethyl group) -AnnotationAssertion( "0") -AnnotationAssertion( "CH3S") -AnnotationAssertion( "47.10052") -AnnotationAssertion( "46.99555") -AnnotationAssertion( "SC*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "sulfanylmethyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "-CH2-SH") AnnotationAssertion(Annotation( "IUPAC") "HS-CH2-") @@ -16738,12 +12964,6 @@ SubClassOf( (2-carboxyethyl group) -AnnotationAssertion( "0") -AnnotationAssertion( "C3H5O2") -AnnotationAssertion( "73.07060") -AnnotationAssertion( "73.02895") -AnnotationAssertion( "C(CC(=O)O)*") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "2-carboxyethyl") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "glutamic acid side-chain") AnnotationAssertion( "CHEBI:50329") @@ -16803,7 +13023,6 @@ AnnotationAssertion( "CHEBI:7758") AnnotationAssertion( "KEGG:C00930") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Oligosaccharide") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "oligosaccharides") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "O-glycosylglycoside") AnnotationAssertion(Annotation( "ChEBI") "O-glycosylglycosides") @@ -17168,15 +13387,6 @@ SubClassOf( (aziridinium) -AnnotationAssertion( "+1") -AnnotationAssertion( "C2H6N") -AnnotationAssertion( "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2/p+1") -AnnotationAssertion( "NOWKCMXCCJGMRR-UHFFFAOYSA-O") -AnnotationAssertion( "44.07578") -AnnotationAssertion( "44.04948") -AnnotationAssertion( "C1C[NH2+]1") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:322803") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "aziridinium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "aziridinium ion") AnnotationAssertion( "CHEBI:50929") @@ -17220,39 +13430,17 @@ SubClassOf( ObjectSomeValuesFrom( (lucanthone) AnnotationAssertion( "A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone.") -AnnotationAssertion( "0") -AnnotationAssertion( "C20H24N2OS") -AnnotationAssertion( "InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3") -AnnotationAssertion( "FBQPGGIHOFZRGH-UHFFFAOYSA-N") -AnnotationAssertion( "340.48200") -AnnotationAssertion( "340.16093") -AnnotationAssertion( "CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12") AnnotationAssertion( "CHEBI:19039") AnnotationAssertion( "CHEBI:6552") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:312369") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:479-50-5") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:479-50-5") AnnotationAssertion( "DrugBank:DB04967") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1616") AnnotationAssertion( "HMDB:HMDB0015607") AnnotationAssertion( "KEGG:C11715") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21148553") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21935361") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:4368942") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:6887199") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:9169823") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:312369") AnnotationAssertion( "Wikipedia:Lucanthone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Lucanthone") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-((2-(diethylamino)ethyl)amino)-4-methylthioxanthen-9-one") AnnotationAssertion(Annotation( "ChEBI") "1-diethylaminoethylethylamino-4-methyl-thioxanthenone") AnnotationAssertion(Annotation( "ChEBI") "1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "lucanthone") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "lucanthone") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "lucanthonum") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "lucantona") AnnotationAssertion( "CHEBI:51052") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "lucanthone") @@ -17296,15 +13484,6 @@ SubClassOf( (Janus Green B cation) -AnnotationAssertion( "+1") -AnnotationAssertion( "C30H31N6") -AnnotationAssertion( "InChI=1S/C30H31N6/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4/h7-21H,5-6H2,1-4H3/q+1") -AnnotationAssertion( "TYOFQDFFFPHHNT-UHFFFAOYSA-N") -AnnotationAssertion( "475.60758") -AnnotationAssertion( "475.26047") -AnnotationAssertion( "CCN(CC)c1ccc2nc3ccc(cc3[n+](-c3ccccc3)c2c1)\\N=N\\c1ccc(cc1)N(C)C") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:9234599") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "3-(diethylamino)-7-{(E)-[4-(dimethylamino)phenyl]diazenyl}-5-phenylphenazin-5-ium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:51070") AnnotationAssertion( ) @@ -17359,16 +13538,6 @@ SubClassOf( (diamminedichloroplatinum) -AnnotationAssertion( "0") -AnnotationAssertion( "Cl2H6N2Pt") -AnnotationAssertion( "300.045") -AnnotationAssertion( "298.95559") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:14913-33-8") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:101110") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diamminedichloridoplatinum") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diamminedichloridoplatinum(II)") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diamminedichloroplatinum") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diamminedichloroplatinum(II)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "diammine(dichloro)platinum") AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "diammineplatinum dichloride") @@ -17390,30 +13559,12 @@ SubClassOf( (tetraphene) AnnotationAssertion( "An angular ortho-fused polycyclic arene consisting of four fused benzene rings.") -AnnotationAssertion( "0") -AnnotationAssertion( "C18H12") -AnnotationAssertion( "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H") -AnnotationAssertion( "DXBHBZVCASKNBY-UHFFFAOYSA-N") -AnnotationAssertion( "228.28788") -AnnotationAssertion( "228.09390") -AnnotationAssertion( "c1ccc2cc3c(ccc4ccccc34)cc2c1") AnnotationAssertion( "CHEBI:33088") AnnotationAssertion( "CHEBI:34557") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1909298") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:56-55-3") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:56-55-3") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:56-55-3") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:244702") AnnotationAssertion( "KEGG:C14317") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25528193") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25528488") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:26720419") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7561049") AnnotationAssertion( "Patent:DE481819") AnnotationAssertion( "Patent:DE486766") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1909298") AnnotationAssertion( "Wikipedia:Tetraphene") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "tetraphene") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "1,2-Benzanthracene") AnnotationAssertion(Annotation( "ChemIDplus") "1,2-Benzanthrazen") @@ -17567,7 +13718,6 @@ SubClassOf( (butanediol) AnnotationAssertion( "A member of the class of butanediols that is butane in which two of the hydrogens have been replaced by hydroxy groups.") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "butanediol") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "butanediols") AnnotationAssertion( "CHEBI:52684") @@ -17579,31 +13729,12 @@ SubClassOf( ObjectSomeValuesFrom( (hycanthone) AnnotationAssertion( "A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel.") -AnnotationAssertion( "0") -AnnotationAssertion( "C20H24N2O2S") -AnnotationAssertion( "InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3") -AnnotationAssertion( "MFZWMTSUNYWVBU-UHFFFAOYSA-N") -AnnotationAssertion( "356.48200") -AnnotationAssertion( "356.15585") -AnnotationAssertion( "CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:1402722") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:3105-97-3") -AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:3105-97-3") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:1383") AnnotationAssertion( "KEGG:D00541") AnnotationAssertion( "LINCS:LSM-5614") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:1888160") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21935361") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:2957147") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:5573958") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:626982") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:7369442") AnnotationAssertion( "Patent:NL6410359") AnnotationAssertion( "Patent:US3294803") AnnotationAssertion( "Patent:US3312598") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1402722") AnnotationAssertion( "Wikipedia:Hycanthone") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one") AnnotationAssertion(Annotation( "KEGG_DRUG") "Hycanthone") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one") @@ -17611,10 +13742,6 @@ AnnotationAssertion(Annotation( "ChEBI") "1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one") AnnotationAssertion(Annotation( "ChemIDplus") "Hycanthon") AnnotationAssertion(Annotation( "ChemIDplus") "Lucanthone metabolite") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "hicantona") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "hycanthone") -AnnotationAssertion(Annotation( "WHO_MedNet") Annotation( ) "hycanthone") -AnnotationAssertion(Annotation( "ChemIDplus") Annotation( ) "hycanthonum") AnnotationAssertion( "CHEBI:52768") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "hycanthone") @@ -17638,7 +13765,6 @@ SubClassOf( (tritiated thymidine) AnnotationAssertion( "Thymidine linked to the radioisotope tritium. Used to label DNA in the study of cellular and viral DNA synthesis.") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:50-88-4") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "(3)HTdR") AnnotationAssertion(Annotation( "ChemIDplus") "(3H)Thymidine") @@ -17668,15 +13794,7 @@ SubClassOf( (D-phenylalanine zwitterion) AnnotationAssertion( "A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-MRVPVSSYSA-N") -AnnotationAssertion( "165.18910") -AnnotationAssertion( "165.07898") -AnnotationAssertion( "[NH3+][C@H](Cc1ccccc1)C([O-])=O") AnnotationAssertion( "MetaCyc:CPD-216") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2R)-2-azaniumyl-3-phenylpropanoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2R)-2-ammonio-3-phenylpropanoate") AnnotationAssertion(Annotation( "UniProt") "D-phenylalanine") @@ -17690,16 +13808,7 @@ SubClassOf( ObjectSomeValuesFrom( (L-phenylalanine zwitterion) AnnotationAssertion( "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3.") -AnnotationAssertion( "0") -AnnotationAssertion( "C9H11NO2") -AnnotationAssertion( "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1") -AnnotationAssertion( "COLNVLDHVKWLRT-QMMMGPOBSA-N") -AnnotationAssertion( "165.18910") -AnnotationAssertion( "165.07898") -AnnotationAssertion( "[NH3+][C@@H](Cc1ccccc1)C([O-])=O") AnnotationAssertion( "MetaCyc:PHE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21956539") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-2-azaniumyl-3-phenylpropanoate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "IUPAC") "(2S)-2-ammonio-3-phenylpropanoate") AnnotationAssertion(Annotation( "UniProt") "L-phenylalanine") @@ -17714,11 +13823,6 @@ SubClassOf( ObjectSomeValuesFrom( (short-chain fatty acid anion) AnnotationAssertion( "Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.010") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "[O-]C([*])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a short-chain fatty acid") AnnotationAssertion(Annotation( "ChEBI") "short-chain fatty acid anions") @@ -17752,11 +13856,6 @@ SubClassOf( ObjectSomeValuesFrom( (organosulfate oxoanion) AnnotationAssertion( "An organic anion of general formula RS(=O)2O(-) where R is an organyl group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "O4SR") -AnnotationAssertion( "96.06300") -AnnotationAssertion( "95.95173") -AnnotationAssertion( "[O-]S(=O)(=O)O[*]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organosulfate oxoanions") AnnotationAssertion( "CHEBI:58958") @@ -17826,11 +13925,6 @@ SubClassOf( ObjectSomeValuesFrom( (L-alpha-amino acid anion) AnnotationAssertion( "Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C2H3NO2R") -AnnotationAssertion( "73.051") -AnnotationAssertion( "73.01638") -AnnotationAssertion( "[C@H](C(=O)[O-])(N)*") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "L-alpha-amino carboxylate") AnnotationAssertion( "CHEBI:59814") @@ -17842,11 +13936,6 @@ SubClassOf( ObjectSomeValuesFrom( (L-alpha-amino acid zwitterion) AnnotationAssertion( "Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "[NH3+][C@@H]([*])C([O-])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "L-alpha-amino acid zwitterions") AnnotationAssertion(Annotation( "UniProt") "an L-alpha-amino acid") @@ -17859,11 +13948,6 @@ SubClassOf( ObjectSomeValuesFrom( (D-alpha-amino acid zwitterion) AnnotationAssertion( "Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "[NH3+][C@H]([*])C([O-])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "D-alpha-amino acid zwitterions") AnnotationAssertion(Annotation( "UniProt") "a D-alpha-amino acid") @@ -17876,11 +13960,6 @@ SubClassOf( ObjectSomeValuesFrom( (N-acyl-L-alpha-amino acid anion) AnnotationAssertion( "A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C3H2NO3R2") -AnnotationAssertion( "100.05290") -AnnotationAssertion( "100.00347") -AnnotationAssertion( "[O-]C(=O)[C@H]([*])NC([*])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "N-acyl-L-alpha-amino acid(1-)") AnnotationAssertion(Annotation( "UniProt") "an N-acyl-L-amino acid") @@ -17894,11 +13973,6 @@ SubClassOf( ObjectSomeValuesFrom( (N-acyl-D-alpha-amino acid anion) AnnotationAssertion( "The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C3H2NO3R2") -AnnotationAssertion( "100.05290") -AnnotationAssertion( "100.00347") -AnnotationAssertion( "[O-]C(=O)[C@@H]([*])NC([*])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "N-acyl-D-alpha-amino acid(1-)") AnnotationAssertion(Annotation( "UniProt") "an N-acyl-D-amino acid") @@ -17981,11 +14055,6 @@ SubClassOf( (guanidinium ion) AnnotationAssertion( "R = C or H. The iminium ion resulting from the protonation of one of the imine nitrogens of guanidine or its derivatives.") -AnnotationAssertion( "+1") -AnnotationAssertion( "CHN3R5") -AnnotationAssertion( "55.039") -AnnotationAssertion( "55.01705") -AnnotationAssertion( "C(=[N+]([H])*)(N(*)*)N(*)*") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "diaminomethaniminium ion") AnnotationAssertion(Annotation( "ChEBI") "diaminomethaniminium ions") @@ -17998,8 +14067,6 @@ SubClassOf( (peptide zwitterion) AnnotationAssertion( "Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R(C2H2NOR)n") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a peptide") AnnotationAssertion(Annotation( "ChEBI") "peptide zwitterions") @@ -18032,11 +14099,6 @@ SubClassOf( (D-alpha-amino acid anion) AnnotationAssertion( "Any alpha-amino acid anion in which the parent amino acid has D-configuration.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C2H3NO2R") -AnnotationAssertion( "73.051") -AnnotationAssertion( "73.01638") -AnnotationAssertion( "[C@@H](C(=O)[O-])(N)*") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "D-alpha-amino acid anions") AnnotationAssertion(Annotation( "ChEBI") "D-alpha-amino carboxylate") @@ -18074,15 +14136,6 @@ SubClassOf( ObjectSomeValuesFrom( (hesperetin(1-)) AnnotationAssertion( "A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.") -AnnotationAssertion( "-1") -AnnotationAssertion( "C16H13O6") -AnnotationAssertion( "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1") -AnnotationAssertion( "AIONOLUJZLIMTK-AWEZNQCLSA-M") -AnnotationAssertion( "301.27080") -AnnotationAssertion( "301.07176") -AnnotationAssertion( "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:CPD-7072") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "hesperetin anion") AnnotationAssertion( "CHEBI:61249") @@ -18103,7 +14156,6 @@ SubClassOf( ObjectSomeValuesFrom( (microtubule-destabilising agent) AnnotationAssertion( "Any substance that interacts with tubulin to inhibit polymerisation of microtubules.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:17099073") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "microtubule destabilising agent") AnnotationAssertion(Annotation( "ChEBI") "microtubule destabilising agents") @@ -18121,12 +14173,6 @@ SubClassOf( (polar amino acid zwitterion) AnnotationAssertion( "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "C(C([O-])=O)(*)[NH3+]") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:Polar-amino-acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "a polar amino acid") AnnotationAssertion( "CHEBI:62031") @@ -18138,11 +14184,6 @@ SubClassOf( ObjectSomeValuesFrom( (1,1-diunsubstituted alkanesulfonate) AnnotationAssertion( "An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CH2O3SR") -AnnotationAssertion( "94.09000") -AnnotationAssertion( "93.97246") -AnnotationAssertion( "[H]C([H])([*])S([O-])(=O)=O") AnnotationAssertion( "KEGG:C15521") AnnotationAssertion( "MetaCyc:Alkanesulfonates") AnnotationAssertion( "chebi_ontology") @@ -18159,17 +14200,6 @@ SubClassOf( ObjectSomeValuesFrom( (folate(2-)) AnnotationAssertion( "The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety.") -AnnotationAssertion( "-2") -AnnotationAssertion( "C19H17N7O6") -AnnotationAssertion( "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1") -AnnotationAssertion( "OVBPIULPVIDEAO-LBPRGKRZSA-L") -AnnotationAssertion( "439.38160") -AnnotationAssertion( "439.12513") -AnnotationAssertion( "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)nc2c(=O)[nH]1") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:CPD-12826") -AnnotationAssertion(Annotation( "Europe PMC") "PMCID:PMC8181341") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:34051149") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-)") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "MetaCyc") "folate") AnnotationAssertion(Annotation( "UniProt") "folate") @@ -18303,33 +14333,9 @@ SubClassOf( (telbivudine) AnnotationAssertion( "A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase.") -AnnotationAssertion( "0") -AnnotationAssertion( "C10H14N2O5") -AnnotationAssertion( "InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1") -AnnotationAssertion( "IQFYYKKMVGJFEH-CSMHCCOUSA-N") -AnnotationAssertion( "242.22860") -AnnotationAssertion( "242.09027") -AnnotationAssertion( "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:3424-98-4") AnnotationAssertion( "DrugBank:DB01265") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:4220") AnnotationAssertion( "KEGG:D06675") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21040410") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21147187") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21457439") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21586234") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21642814") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21670922") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21703206") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21748522") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22093034") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22132702") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22174039") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22233255") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22257108") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:754297") AnnotationAssertion( "Wikipedia:Telbivudine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "1-(2-deoxy-beta-L-ribofuranosyl)-5-methyluracil") AnnotationAssertion(Annotation( "DrugBank") "2'-Deoxy-L-thymidine") @@ -18340,7 +14346,6 @@ AnnotationAssertion(Annotation( "DrugBank") "L-thymidine") AnnotationAssertion(Annotation( "DrugBank") "LDT") AnnotationAssertion(Annotation( "ChEBI") "beta-L-2'-deoxythymidine") -AnnotationAssertion(Annotation( "KEGG_DRUG") Annotation( ) "telbivudine") AnnotationAssertion( "CHEBI:63624") AnnotationAssertion( ) AnnotationAssertion(rdfs:label "telbivudine") @@ -18512,17 +14517,6 @@ SubClassOf( (dimethylmyleran) AnnotationAssertion( "A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups.") -AnnotationAssertion( "0") -AnnotationAssertion( "C8H18O6S2") -AnnotationAssertion( "InChI=1S/C8H18O6S2/c1-7(13-15(3,9)10)5-6-8(2)14-16(4,11)12/h7-8H,5-6H2,1-4H3") -AnnotationAssertion( "JDZNTUQRMDAIRO-UHFFFAOYSA-N") -AnnotationAssertion( "274.35500") -AnnotationAssertion( "274.05448") -AnnotationAssertion( "CC(CCC(C)OS(C)(=O)=O)OS(C)(=O)=O") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:55-93-6") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:3800321") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:1796040") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "hexane-2,5-diyl dimethanesulfonate") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-bis(methylsulfonyloxy)-1,4-dimethylbutane") AnnotationAssertion(Annotation( "ChemIDplus") "1,4-dimethanesulfonoxy-1,4-dimethylbutane") @@ -18543,10 +14537,6 @@ SubClassOf( ObjectSomeValuesFrom( (ryanodine receptor agonist) AnnotationAssertion( "A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30679133") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:30684528") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:31840405") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:8597061") AnnotationAssertion( "Wikipedia:Ryanodine_receptor") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "RyR activator") @@ -18565,15 +14555,6 @@ SubClassOf( (hycanthone(1+)) AnnotationAssertion( "An ammonium ion resulting from the protonation of the tertiary amino group of lycanthone.") -AnnotationAssertion( "+1") -AnnotationAssertion( "C20H25N2O2S") -AnnotationAssertion( "InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3/p+1") -AnnotationAssertion( "MFZWMTSUNYWVBU-UHFFFAOYSA-O") -AnnotationAssertion( "357.49000") -AnnotationAssertion( "357.16313") -AnnotationAssertion( "CC[NH+](CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:19574704") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium") AnnotationAssertion( "chebi_ontology") AnnotationAssertion( "CHEBI:67141") AnnotationAssertion( ) @@ -18850,12 +14831,6 @@ SubClassOf( "Any member of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such).") AnnotationAssertion( "MetaCyc:B-vitamins") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22743781") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23093174") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23238962") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23449527") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23462586") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23690582") AnnotationAssertion( "Wikipedia:B_vitamin") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "B vitamins") @@ -18916,12 +14891,6 @@ SubClassOf( (aromatic amino-acid zwitterion) AnnotationAssertion( "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "[NH3+]C([*])C([O-])=O") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:Aromatic-Amino-Acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "an aromatic amino-acid") AnnotationAssertion(Annotation( "ChEBI") "aromatic amino-acid zwitterions") @@ -18944,8 +14913,6 @@ SubClassOf( (propellant) AnnotationAssertion( "A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22519407") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:24001847") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "propellants") AnnotationAssertion( "CHEBI:76414") @@ -19406,7 +15373,6 @@ SubClassOf( (vesicant) AnnotationAssertion( "Any compound that causes severe skin, eye and mucosal pain and irritation.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:16168310") AnnotationAssertion( "Wikipedia:Blister_agent") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "blister agent") @@ -19420,13 +15386,7 @@ SubClassOf( (alpha-amino acid zwitterion) AnnotationAssertion( "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3.") -AnnotationAssertion( "0") -AnnotationAssertion( "C2H4NO2R") -AnnotationAssertion( "74.059") -AnnotationAssertion( "74.02420") -AnnotationAssertion( "[NH3+]C([*])C([O-])=O") AnnotationAssertion( "CHEBI:83409") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:Alpha-Amino-Acids") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "an alpha-amino acid") AnnotationAssertion( "CHEBI:78608") @@ -19522,11 +15482,6 @@ SubClassOf( (organosulfonic ester) AnnotationAssertion( "An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid.") -AnnotationAssertion( "0") -AnnotationAssertion( "O3SR2") -AnnotationAssertion( "80.06300") -AnnotationAssertion( "79.95681") -AnnotationAssertion( "[*]S(=O)(=O)O[*]") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "organosulfonate ester") AnnotationAssertion(Annotation( "ChEBI") "organosulfonate esters") @@ -19541,12 +15496,6 @@ SubClassOf( ObjectSomeValuesFrom( (alkyl sulfate(1-)) AnnotationAssertion( "An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3.") -AnnotationAssertion( "-1") -AnnotationAssertion( "O4SR") -AnnotationAssertion( "96.064") -AnnotationAssertion( "95.95173") -AnnotationAssertion( "[O-]S(=O)(=O)O[*]") -AnnotationAssertion(Annotation( "SUBMITTER") "MetaCyc:Organo-Sulfates") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "alkyl sulfate anion") AnnotationAssertion(Annotation( "UniProt") "an alkyl sulfate") @@ -19714,14 +15663,6 @@ SubClassOf( (skin lightening agent) AnnotationAssertion( "Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin.") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:21265866") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22132817") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:22314516") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23891889") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:23974587") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25535470") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25574195") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:25643794") AnnotationAssertion( "Wikipedia:Skin_whitening") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChEBI") "melanogenesis inhibitor") @@ -19751,30 +15692,13 @@ SubClassOf( (quinacrine) AnnotationAssertion( "A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.") -AnnotationAssertion( "0") -AnnotationAssertion( "C23H30ClN3O") -AnnotationAssertion( "InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)") -AnnotationAssertion( "GPKJTRJOBQGKQK-UHFFFAOYSA-N") -AnnotationAssertion( "399.95700") -AnnotationAssertion( "399.20774") -AnnotationAssertion( "CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:497807") -AnnotationAssertion(Annotation( "Beilstein") "Beilstein:95500") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:83-89-6") -AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:83-89-6") AnnotationAssertion( "DrugBank:DB01103") -AnnotationAssertion(Annotation( "DrugCentral") "Drug_Central:2338") AnnotationAssertion( "HMDB:HMDB0015235") AnnotationAssertion( "KEGG:C07339") AnnotationAssertion( "KEGG:D08179") AnnotationAssertion( "LINCS:LSM-1577") AnnotationAssertion( "MetaCyc:ATABRINE") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11339632") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:11908878") -AnnotationAssertion(Annotation( "Europe PMC") "PMID:19747949") -AnnotationAssertion(Annotation( "Reaxys") "Reaxys:95500") AnnotationAssertion( "Wikipedia:Quinacrine") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine") AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Quinacrine") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "ChemIDplus") "2-methoxy-6-chloro-9-diethylaminopentylaminoacridine") @@ -19833,11 +15757,6 @@ SubClassOf( (aromatic carboxylate) AnnotationAssertion( "A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3.") -AnnotationAssertion( "-1") -AnnotationAssertion( "CO2R") -AnnotationAssertion( "44.010") -AnnotationAssertion( "43.98983") -AnnotationAssertion( "*C([O-])=O") AnnotationAssertion( "chebi_ontology") AnnotationAssertion(Annotation( "UniProt") "an aromatic carboxylate") AnnotationAssertion( "CHEBI:91007") @@ -19847,47 +15766,10 @@ SubClassOf( ObjectSomeValuesFrom( )) -############################ -# Named Individuals -############################ - -# Individual: (axiom holds for all times) - -AnnotationAssertion( "## Elucidation - -This is used when the statement/axiom is assumed to hold true 'eternally' - -## How to interpret (informal) - -First the "atemporal" FOL is derived from the OWL using the standard -interpretation. This axiom is temporalized by embedding the axiom -within a for-all-times quantified sentence. The t argument is added to -all instantiation predicates and predicates that use this relation. - -## Example - - Class: nucleus - SubClassOf: part_of some cell - - forall t : - forall n : - instance_of(n,Nucleus,t) - implies - exists c : - instance_of(c,Cell,t) - part_of(n,c,t) - -## Notes - -This interpretation is *not* the same as an at-all-times relation") -AnnotationAssertion(rdfs:label "axiom holds for all times"@en) - - SubClassOf(ObjectSomeValuesFrom( ) ObjectUnionOf(ObjectSomeValuesFrom( ObjectSomeValuesFrom( )) ObjectSomeValuesFrom( ObjectSomeValuesFrom( ObjectSomeValuesFrom( ))))) SubObjectPropertyOf(ObjectPropertyChain( ) ) SubObjectPropertyOf(ObjectPropertyChain( ) ) SubObjectPropertyOf(ObjectPropertyChain( ) ) -SubObjectPropertyOf(Annotation( "true"^^xsd:boolean) ObjectPropertyChain( ) ) SubObjectPropertyOf(Annotation( "true"^^xsd:boolean) ObjectPropertyChain( ) ) SubObjectPropertyOf(ObjectPropertyChain( ) ) SubObjectPropertyOf(ObjectPropertyChain( ) ) diff --git a/src/ontology/reports/basic-report.tsv b/src/ontology/reports/basic-report.tsv new file mode 100644 index 0000000..cc691f7 --- /dev/null +++ b/src/ontology/reports/basic-report.tsv @@ -0,0 +1,2303 @@ +?cls ?def ?xrefs + "An assay in which a factor is immunoprecipitated and the associated RNA sequences are characterized by high-throughput sequencing." + "30-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to stimulate the activity of a neuron, where this property can be regulated by temperature." + + "Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids." "Wikipedia:Alkaloid" + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 625-659nm." + "A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid." + "Mapping of short (200-500 bp) sequence-tagged sites (STS) landmarks to develop a physical map of a genome." + "An allele inferred from genetic evidence to have normal activity at some temperatures (permissive temperatures) but at other temperatures to make a gene product with normal function but in a lesser amount or with lowered activity (non-permissive temperatures). The genetic evidence must consist of an observation extra copies in the genome decrease the expressivity and/or penetrance of the phenotype at non-permissive temperatures. Most commonly this evidence takes the form of experiments showing that the homozygote (2 copies) has a weaker phenotype at non-permissive temperatures than the allele in trans to a deletion of the gene (1 copy))." + + "A work that has not been formally published and that consists of observations or data submitted by a researcher or group of researchers directly to FlyBase." + "A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues." "KEGG:C00930" + "A phenotypic attribute is described as codominant when it is manifest in individuals carrying the allele that causes that phenotype, irrespective of the homologous allele." + "Publication in the Slovak language." + "Sequence change introduced by using an in vitro construct that contains a in-frame fusion of the open reading frames from two or more genes. In FlyBase, the resulting genes may be classified as fusion genes or tagged genes." + "A collection of material reagents." + "A phenotype that is survival to mature adulthood, where mature is defined as after adult stage A3 (FBdv:00006012)." + + "Restricted to ventral region of some specified type." + "Any heteroorganic entity containing at least one carbon-nitrogen bond." + "Nuclei of a single cell type have been isolated with the TAPIN (Tandem Affinity Purification of Intact Nuclei) strategy (Davis et al., 2020)." + "Restricted to a segmentally repeated pattern with some specified type." + + + "Any carboxylic acid having a sulfur substituent." + "Mutation caused by the transposable activity caused by the I-element, a non-LTR retrotransposon. The I-element is 5371 base pairs long. Mobilization is induced by the activity of the I-element transposase." + "An amino acid whose structure includes an aromatic ring." "KEGG:C01021 Wikipedia:Aromatic_amino_acid" + + "Sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which allows the tagged protein product to be cleaved (broken into smaller molecules by the rupture of a covalent bond) by a specific process. Examples of protein cleavage tags include sequences recognized and cleaved by proteases such as the human rhinovirus (HRV) 3C protease (often produced with the tradename PreScission Protease) and the tobacco etch virus (TEV) protease. Protein product cleavage can be used for a number of different purposes, including release of a protein after purification, or removal of a detection tag to assess that the tag does not interfere with protein function." + "0-10% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Phenotype that is any abnormality in response to heat (GO:0009408). 'response to heat' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a heat stimulus, a temperature stimulus above the optimal temperature for that organism.'" + "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention (from CHEBI)." + "A membrane transport modulator that is able to regulate intracellular calcium levels." + "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property used to ablate a specific cell or anatomical structure, where this property can be regulated by binding to a small molecule, such as an ion or ligand." + "A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms." + "A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia (from CHEBI)." + + "A phosphate ion that is the conjugate base of hydrogenphosphate." "KEGG:C00009" + "A polar solvent that is capable of acting as a hydron (proton) donor." + "A homocyclic compound in which all of the ring members are carbon atoms." + "A phenotype in which the aging process is accelerated compared to wild-type." + + "Mutation caused by the transposable activity caused by the Stalker element, a LTR retrotransposon. Mobilization is induced by the activity of the stalker element transposase." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of grooming behavior (GO:0007625). 'grooming behavior' is defined as: 'The specific behavior of an organism relating to grooming, cleaning and brushing to remove dirt and parasites.'." + "A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug." "Wikipedia:Prodrug" + "An enzyme that catalyzes hydrolysis of DNA in a site-specific manner. When used in vivo, the DNA cutting stimulates cellular repair mechanisms, which can be exploited to produce genome modifications. For example, repair by homologous recombination in the presence of an exogenous template can be used to introduce targeted changes into the genome." + "Any p-block molecular entity containing a chalcogen." + + "A method that uses high-throughput sequencing for this assay." + "Qualifier that describes a phenotype that has poor penetrance or expressivity." + "Embryonic/larval segmentation phenotype that is the complete or partial loss of even segments." + "Sequence change caused by the cleavage of specific DNA sequences by transcription activator-like effector nucleases (TALENs). TALEN proteins comprise a DNA binding domain fused to the catalytic domain of the FokI endonuclease. The DNA binding domain contains a repetitive region within the middle of the protein, consisting of tandem repeats of 34 amino acid segments, with each of these segments recognizing a single base pair. The specificity of the binding is determined by two hypervariable amino acids in positions 12 and 13 (repeat-variable diresidues). Cleavage requires dimerization of FokI. The endonuclease is directed to a target region by a pair of TALENs which bind to adjacent sequences separated by a spacer region, allowing dimerization and promoting cleavage." + "No definition for CHEBI:28954." + + "Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group." + "FlyBase miscellaneous controlled vocabulary term." + "Qualifier that describes an electrophoretic migration of a gene product that is intermediate in speed compared to the wild-type." "PATO:0000303" + "Mutation induced by exposure to radio waves." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to stimulate the activity of a neuron, where this property can be regulated in response to a particular stimulus." + "Qualifier that describes the type of publication." + "No definition for CHEBI:25814." + "Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the second instar larval stage." + "A spatial quality inhering in a bearer by virtue of the bearer's being located toward the front of an organism relative to another entity." "PATO:0001632" + + "A straight chain alkane composed of 4 carbon atoms." "PDBeChem:NBU Wikipedia:Butane" + "An antagonist at any adenosine receptor." "Wikipedia:Adenosine_receptor" + "Any alkylbenzene that is benzene substituted with one or more methyl groups." + "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." + "Mutation induced by the transposable activity caused by piggyBac, a DNA transposable element. The piggyBac is 2.5 kilobases in length with 13 base pairs inverted terminal repeats. It specifically targets TTAA dinucleotides and generates a flanking duplication of these 4 base pairs upon insertion. Mobilization is induced by the activity of the piggyBac transposase." + + + "A genome binding assay of some protein as characterized by creating a fusion to DNA adenine methyltransferase and analysis of methylated DNA sequences by high-throughput sequencing." + + + "A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities." + "A phenotype that is the ability of females to produce fertilized eggs as a result of mating." + "Publication in the Ukrainian language." + "The biosample that is depleted of specific biomolecule types before further processing." + "A molecular entity that can transfer (\"donate\") an electron, a pair of electrons, an atom or a group to another molecular entity." "KEGG:C01351" + "A biosample that is derived from multiple species." + "Expressed in females." + "Embryonic/larval segmentation phenotype that is the complete or partial loss of terminal regions of the embryo/larva: the acron, telson and immediately adjacent segments." + "A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function." + + "A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals." + + "The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent." "DrugBank:DB01900 KEGG:C01455 Wikipedia:Toluene PDBeChem:MBN" + "An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-phenylalanine; major species at pH 7.3." "MetaCyc:PHE" + "Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae." + "A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid." "MetaCyc:CPD-3746" + "A haloalkane that is bromoethane substituted by chlorine at position 2." + "Qualifier that describes an observed expression pattern." + "A publication issued on a regular, ongoing basis containing separate research articles and other writings such as reviews, comments and conference reports." "MeSH:D020492" + "Any hydroxyflavanone with a hydroxy substituent at position 3' of the phenyl ring." "MetaCyc:3-Hydroxy-Flavanones" + "A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system." "HMDB:HMDB0001505 KEGG:C01407 PDBeChem:BNZ Wikipedia:Benzene" + "An allele that has been shown by molecular evidence to make a gene product that is antagonistic to the function of the wild-type gene product at some temperatures but not others." + "Material that has been selected using Cap Analysis Gene Expression, in which the 7-methylguanosine cap at 5' transcript ends is biotinylated and affinity purified." + "Specific DNA sequence that is used as the effector in a binary expression system. This system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder." + "A metal sulfate compound having copper(2+) as the metal ion." "Wikipedia:Copper(II)_sulfate KEGG:C18713 PPDB:178" + "30-40% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + + "An addition compound contains two or more simpler compounds that can be packed in a definite ratio into a crystal. The term covers donor-acceptor complexes (adducts) and a variety of lattice compounds." + "A thioxanthen-9-one compound having a hydroxymethyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. It was formerly used (particularly as the monomethanesulfonic acid salt) as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel." "Patent:US3294803 LINCS:LSM-5614 Wikipedia:Hycanthone KEGG:D00541 Patent:NL6410359 Patent:US3312598" + "Makes a condition better." + "A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors." + "Phenotype that is the partial or full transformation of one or more segments (FBbt:00000003) or segmental appendages from one identity to another. For example, in antennapedia an antenna is partially or fully transformed into a leg." + "Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration." "Wikipedia:Proteinogenic_amino_acid" + "A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group." "Wikipedia:Thymine DrugBank:DB03462 PDBeChem:TDR KEGG:C00178 KNApSAcK:C00001511" + "A drug used to treat or prevent microbial infections." + "Quantitative or qualitative assessment of biological source material to measure some attribute." + "A phenotype in which all offspring are sterile. Typically, this is due to maternal effect sterility resulting from defects in pole cell development." + + "A phenotype consisting of an increase in any kind of rate (e.g. speed, frequency) of `multicellular organismal movement` (GO:0050879) compared to wild-type." + + "A result that provides the expression values for all (or some subset of) genes in a given biological sample obtained using a specific transcriptional driver (or combination of drivers), when that driver is not associated to a clearly identified cell type." + "70% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "KNApSAcK:C00001857 KEGG:C09438" + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of flight behavior (GO:0007629). 'flight behavior' is defined as: 'The response to external or internal stimuli that results in the locomotory process of flight. Flight is the self-propelled movement of an organism through the air.'." + "A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent." + "Publication in the Spanish language." + "A phenotype of a population that is the death of all animals in that population during the pharate adult stage." + "The D-enantiomer of phenylalanine." "YMDB:YMDB00995 PDBeChem:DPN ECMDB:ECMDB20144 MetaCyc:CPD-216 DrugBank:DB02556 KEGG:C02265" + "Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma." + "Makes a condition worse." + "Weak expression." + "Characteristics pertaining to the growth conditions, treatments and tissue isolation methods used to generate and obtain a biosample." + + "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee (from CHEBI)." + "R = C or H. The iminium ion resulting from the protonation of one of the imine nitrogens of guanidine or its derivatives." + "Restricted to stripes in some specified type." + + "A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen." + "Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions." "Wikipedia:Micronutrient" + "Any human metabolite produced by metabolism of a xenobiotic compound in humans." + "Phenotype that is a decrease in body weight compared to identically raised wild-type controls." + "Material that has been selected using size fractionation." + "10-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A published announcement of a death accompanied by a short biography of the deceased." + "Phenotype that is any abnormality in sensory perception (GO:0007600). 'sensory perception' is defined as: 'The series of events required for an organism to receive a sensory stimulus, convert it to a molecular signal, and recognize and characterize the signal. This is a neurological process.'" + "A biological role played by the molecular entity or part thereof within a biochemical context." + "Some characteristic of a result pertaining to the methods involved in analyzing the input data, or the content or format of the output data." + "A project that groups together related sub-projects." + "No definition for CHEBI:25818." + + "A non-proteinogenic amino acid derivative resulting from reaction of D-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-phenylalanine by a heteroatom." + "An ammonium ion resulting from the protonation of the tertiary amino group of lycanthone." + + + "No definition for CHEBI:27504." + "An allele that, at some temperatures but not others, makes a gene product with normal function but at higher levels or with higher activity than in wild-type." + "An antimetabolite that impairs the action of folic acids" "Wikipedia:Antifolate" + "The L-enantiomer of phenylalanine." "KEGG:D00021 MetaCyc:PHE ECMDB:ECMDB00159 DrugBank:DB00120 KNApSAcK:C00001386 YMDB:YMDB00304 PDBeChem:PHE Wikipedia:Phenylalanine HMDB:HMDB0000159 KEGG:C00079" + "A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom." + "An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon." + "A film or video that is factual, documentary or instructional in character." + "Phenotype that is any abnormality in response to pain (GO:0048265). 'response to pain' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a pain stimulus. Pain stimuli cause activation of nociceptors, peripheral receptors for pain, include receptors which are sensitive to painful mechanical stimuli, extreme heat or cold, and chemical stimuli.'" + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of mating behavior (GO:0007617). 'mating behavior' is defined as: 'The behavioral interactions between organisms for the purpose of mating, or sexual reproduction resulting in the formation of zygotes.'." + + "A substance used to destroy pests of the phylum Nematoda (roundworms)." "Wikipedia:Nematicide" + "An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H)." + "A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom." "Wikipedia:Acridine" + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme which covalently tags neighboring DNA, facilitating the subsequent purification or detection of the tagged DNA by an experimental method." + "Mutation caused by a male recombination event in the second and third chromosomes induced by a male recombination factor which is present in chromosomes extracted from a population in Harlingen, Texas." + "A salt is an assembly of cations and anions." + "No definition for CHEBI:23704." + "Restricted to distal region of some specified type." + "Publication in the Bulgarian language." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the microtubule." + "Material that is derived from the isolation of RNA containing a poly(A) tail." + "An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues." + + "A method to prepare and sequence a library of cDNAs obtained from single cells." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of a biologically relevant property that is not part of or directly encoded by the genome, for example pH, redox state, membrane potential, a change in concentration of a particular molecule. For experimental tools that are used to detect a gene product directly encoded by the genome, see instead 'gene product detection tag'." + "An optically active form of glutamic acid having L-configuration." "PDBeChem:GLU_LFOH KEGG:C00025 BPDB:2297 MetaCyc:GLT KNApSAcK:C00001358 Wikipedia:L-Glutamic_Acid DrugBank:DB00142 HMDB:HMDB0000148 LINCS:LSM-36375 KEGG:D00007" + "Publication in the Jugoslavian language." + "An enzyme that catalyzes hydrolysis of a peptide bond." + "The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid." + "Penetrance is the fraction of individuals of a given genotype who exhibit the phenotype associated with that genotype. Penetrance is incomplete when only some the individuals of a given genotype exhibit the phenotype associated with that genotype." + "Mutation induced by exposure to a magnetic field." + "Mutation induced by exposure to supersonic radiation." + + "Any aminopurine having the amino substituent at the 2-position." + "Any additive that enhances the efficiency of fuel." + "Phenotype that is any abnormality in proboscis extension reflex (GO:0007637). 'proboscis extension reflex' is defined as: 'The extension, through direct muscle actions, of the proboscis (the trunk-like extension of the mouthparts on the adult external head) in response to a nutritional stimulus.'" + + "An allele shown by molecular evidence to make a normal gene product in normal amounts at high temperatures, but at lower temperatures to make a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + + "Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives." + + "Any abnormality in adult walking behavior (GO:0007628), which is defined as 'The behavior of an adult relating to the progression of that organism along the ground by the process of lifting and setting down each leg.'." + + "A proteinogenic amino acid derivative resulting from reaction of L-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-phenylalanine by a heteroatom." + + "Expressivity measures the extent to which a given genotype is expressed at the phenotypic level." + + "An assay mapping genomic replication patterns by labeling newly synthesized DNA in vivo with 5-bromo-2-deoxyuridine (BrdU), with subsequent affinity purification and characterization by high-throughput sequencing." + "An aminocarboxamidine, the parent compound of the guanidines." "DrugBank:DB00536 PDBeChem:GAI Wikipedia:Guanidine" + "PDBeChem:FOR" + "Arylmethyl groups and derivatives formed by substitution: ArCR2-." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the first instar larval stage." + "Publication in the Catalan language." + "A compound having the nitro group (-NO2) attached to a nitrogen atom." + "Expression pattern that resembles small dots." "PATO:0001512" + "A phenotype of a population that is the death of the majority of animals in that population during the second instar larval stage." + "Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues." + "An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents." "KEGG:C00801 Wikipedia:Nucleoside" + "Phenotype that is any abnormality in wound healing (GO:0042060). 'wound healing' is defined as: 'The series of events that restore integrity to a damaged tissue, following an injury.'" + + "A work consisting of a set of statements, directions, or principles presenting current or future rules or policy." "MeSH:D016431" + + "An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system." + "An ordered list of a minimal set of overlapping clones that provides complete coverage across an assembly." + + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the peroxisome." + "Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families." + "Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH)." + "Phenotype that is any abnormality in long-term memory (GO:0007616). 'long-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information a long time (typically weeks, months or years) after receiving that information. This type of memory is typically dependent on gene transcription regulated by second messenger activation.'" + "PPDB:1645 MetaCyc:CPD-18996 HMDB:HMDB0031419 Wikipedia:N-Nitrosodimethylamine KEGG:C14704 FooDB:FDB003496" + "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests." "Wikipedia:Pesticide" + "An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table." + "A molecule that can substitute for a normal nucleobase in nucleic acids." "Wikipedia:Base_analog" + "A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element." + "Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group." + "A chemical entity constituting the smallest component of an element having the chemical properties of the element." + "A fertilizer is any substance that is added to soil or water to assist the growth of plants." + + "A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2)." + "Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers." "KEGG:C00297" + "Expressed in mated females." + "Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth." + "Any protective agent counteracting or neutralizing the action of poisons." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the mitochondrion." + "An allele that has been shown by molecular evidence to make a gene product that is antagonistic to the function of the wild-type gene product." + "Any dianion containing at least one carboxy group." + + "Characteristics associated with a given condition recapitulated in a different system." + "A molecular entity containing one or more atoms of an alkali metal." + "Mutation induced by exposure to 1,4-dimethanesulfonoxybut-2-yne." + + + "An allele that makes a gene product that is antagonistic to the function of the wild-type gene product at cold temperatures, but not at higher temperatures." + "Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom." "KEGG:C06060" + "An organochalcogen compound containing at least one carbon-oxygen bond." + "40% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Any ester of carbamic acid or its N-substituted derivatives." "Wikipedia:Carbamate" + + + + "An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group." + "An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3)." "Wikipedia:Dihydrofolate_reductase_inhibitor" + "A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects." "MetaCyc:FORMATE KEGG:C00058 HMDB:HMDB0000142 Wikipedia:Formate" + "A molecular entity that contains no carbon." + "An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid." + "Phenotype that is the absence of flight (GO:0060361). 'flight' is defined as: 'Self-propelled movement of an organism from one location to another through the air, usually by means of active wing movement.'" + "An analysis that results in the identification of discrete polyadenylation sites." + "Mutation induced by hybrid dysgenesis caused by the mobilization of the Stalker transposable element." + "Phenotype that is an increase in the efficacy of medium-term memory (GO:0072375) relative to controls. 'medium-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received at a time ago that is intermediate between that of short and long term memory (30min - 7hrs in Drosophila melanogaster).'" + "0-80% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "A phosphate ion that is the conjugate base of dihydrogenphosphate." "PDBeChem:PO4 PDBeChem:PI MolBase:1628" + "A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines." "MetaCyc:PURINE KEGG:C15587 HMDB:HMDB0001366" + "Genes with the same location on the chromosome and whose products have a similar function." + "A phenotype that is an expansion of the developing embryonic nervous system at the expense of developing ventral epidermis." + "Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group." + + + "A method that uses an Affymetrix Gene Expression Array, version 2, for this assay." + "An allele that at low temperatures but not high temperatures, either makes a normally functioning gene product but at higher levels or in a different spatial or temporal pattern to wild-type, or a product with increased or novel activity compared to wild-type." + "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups (from CHEBI)." + "PDBeChem:SO3 KNApSAcK:C00019662 KEGG:C00094" + "Phenotype that is any abnormality in male courtship behavior, veined wing generated song production (GO:0045433). This is defined as 'The process during wing vibration where the male insect produces a species-specific acoustic signal called a love song.'" + "Mutation caused by a P-element that is inserted into the genome and that is used to create more insertions at other sites." + "A straight-chain saturated fatty acid containing five carbon atoms." "Wikipedia:Valeric_acid HMDB:HMDB0000892 PPDB:3130 DrugBank:DB02406 PDBeChem:LEA KEGG:C00803 KNApSAcK:C00001208" + "A project study design investigating the biological mechanisms of intact or dissected tissues in order to understand their form or function." + "An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine." + "A diol that is a butanediol or a derivative of a butanediol." + "A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans." + "Phenotype only expressed under some specific nutritional regime." + "An allele shown by molecular evidence to make a functionally wild-type gene product at increased levels or with increased activity where this increased expression or activity occurs at high temperatures but not lower temperatures." + + "Phenotype expressed only in the presence of beta-estradiol (CHEBI:16469)." + "50-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Present in the area that separates segments." + "A phenotype of a population that is the death of the majority of animals in that population as immature adults (after eclosion but before the end of adult stage A3 (FBdv:00006012))." + "A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties." + "A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n." + "A spatial quality inhering in a bearer by virtue of the bearer's being located toward the rear of an organism relative to another entity." "PATO:0001633" + "Phenotype that is any abnormality in axis specification (GO:0009798). 'axis specification' is defined as: 'The establishment, maintenance and elaboration of a pattern along a line or around a point.'" + "A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring (from CHEBI)." + "The basic components of a polyA trap cassette are a promoter fused to a gene sequence that lacks a polyadenylation (polyA) sequence but is followed by a splice donor sequence. If the cassette is integrated into the genome outside a gene, the mRNA produced by the polyA trap is not polyadenylated and is expected to be rapidly degraded. However, if the cassette is integrated into an intron, the promoter in the polyA trap will drive expression of a transcriptional fusion containing the polyA gene trap fused to any downstream exons. The downstream terminal exon can provide a polyA signal, allowing stable expression of the gene encoded by the polyA trap. polyA trap cassettes can be used to report the expression of genes that are not normally expressed, or are expressed at very low levels, or may be used as a marker of successful integration of an insertion into a transcription unit. A polyA trap cassette may be inserted into a genome as part of a transgenic construct via transposable-element-mediated transgenesis, or may be inserted directly into a modified endogenous locus via a genome engineering method such as homologous recombination or CRISPR." + "Anatomical structure is present in a location in which it would not be present in wild-type." "PATO:0000628" + "An optically active form of phenylalaninate having L-configuration." + "A particle not known to have substructure." + + "A work consisting of a conversation with an individual regarding his or her background and other personal and professional details, opinions on specific subjects posed by the interviewer." "MeSH:D017203" + + "Material that has been selected using a low salt chromatin extraction, typically 80mM." + + "A method that uses an RNA-seq assay in which both ends of the library fragment are sequenced to provide additional mapping constraints." + "Qualifier used to describe changes in number or location of an anatomical structure compared to wild type." + "Phenotype expressed only under specific environmental conditions that do not induce the same defect in wild-type animals." + "A project that searches for the genes responsible for a particular observable trait." + "A recognition site for a site-specific DNA nuclease, an enzyme that catalyzes hydrolysis of DNA in a site-specific manner. The DNA cutting stimulates cellular repair mechanisms, which can be exploited to produce genome modifications. For example, repair by homologous recombination in the presence of an exogenous template can be used to introduce targeted changes into the genome." + "Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom." + "Wild-type allele that can be distinguished from others." + "A method that uses the Smart-seq2 platform (Picelli et al., 2013) to prepare and sequence a cDNA library." + + "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*)." + "An enzyme that catalyzes hydrolysis of RNA in a site-specific manner, and in which the specificity is determined by a guide RNA that contains sequence complementary to the target RNA sequence of interest, rather than being an inherent property of the ribonuclease itself. This property can be used to modify an organism's transcriptome in a defined manner." + + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to inhibit the activity of a neuron, where this property can be regulated in response to a particular stimulus." + + "Sequence change induced by a cleavage event that is caused by an endonuclease that recognizes and cleaves specific sequences in double stranded DNA causing double-strand breaks (DSB)." + "Phenotype that is a difference in electrophoretic migration of a gene product compared to wild-type." + "A phenotype due to genotype g1 is non-suppressible by genotype g2 if (and only if) the phenotype due to the genotype g1g2 is no less severe than the phenotype due to g1 alone." + "Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001." + "An allele inferred to completely lack function at high temperatures (restrictive temperatures) but not at low temperatures (permissive temperatures) from the observation that adding extra copies in the genome has no effect on the phenotype at the restrictive temperatures. Most commonly, evidence takes the form of the observation that the phenotype of homozygotes (2 copies) is identical to that seen when the allele is in trans to a deletion of the gene (1 copy)." + "0-90% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Publication in the Czech language." + "A result that profiles expressed RNA-seq sequences along genome." + "Publication in the Belarussian language." + "Transactivator ('driver') that forms part of a binary expression system and whose activity is regulated by binding to a small molecule, such as an ion or ligand. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. Use of a small molecule-regulated driver permits further refinement of this expression pattern." + "Characteristics pertaining to the cell culture conditions used to generate the biosample." + + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the embryonic stage." + "Phenotype that is a decrease in size of an initially normally sized organ or tissue due to wasting away of cells." + + "No definition for CHEBI:19508." + "The type of result as characterized by its data content." + "The diethyl ester of sulfuric acid (from CHEBI)." + + "50% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Material that has been selected based on density via density sedimentation." + "Publication in the Cumbrian language." + + "Mutation induced by exposure to U.V. radiation." + "The basic components of a misexpression element are an enhancer sequence plus a minimal promoter. Upon integration into the genome, this element can activate expression of nearby endogenous loci. Typically, constructs containing misexpression elements are designed to insert at or near the 5' end of a gene, such that expression from the promoter within the misexpression element drives overexpression of the endogenous locus and causes a gain-of-function phenotype. However, if the insertion is within a locus, a truncated product may be produced, while an insertion in the opposite orientation to that of the direction of transcription of the endogenous locus can result in the production of an antisense transcript. If the enhancer present in the misexpression element forms part of a binary expression system, the misexpression pattern of the endogenous gene is controlled by combining the misexpression element insertion with a driver expressed in the desired temporal and spatial pattern." + "An alignment of high-throughput sequences that includes reads mapping to multiple sites in the genome. Coverage values for a given sequence weighted equally across the multiple sites to which it maps." + "Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s)." + "The scope and purity of a biosample, ranging from single cell to environmental sample." + "Material that has been selected using short sequences of deoxy-thymine nucleotides to prime first strand cDNA synthesis by reverse transcriptase at long polyA stretches." + "A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring." "KEGG:D00369 Patent:US3032585 Wikipedia:Melphalan Patent:US3032584 Patent:US275057 Patent:US108552 DrugBank:DB01042" + "An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group." + + "Publication in the Malayalam language." + "A metal fluoride salt with a Na(+) counterion (from CHEBI)." + "Any oxacycle having an oxolane (tetrahydrofuran) skeleton." + "Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent." + "A role played by the molecular entity or part thereof within a chemical context." + "Any ether in which the oxygen atom forms part of a ring." + "A sample that is derived from a population of cells undergoing a stationary phase of division." + "Phenotype that is any abnormality in sex determination (GO:0007530). 'sex determination' is defined as: 'Any process that establishes and transmits the specification of sexual status of an individual organism.'" + + "Publication in the Serbo-Croat language." + "An organic compound having at least one hydroxy group attached to a carbon atom." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of voltage." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of pH." + "Two or more genes contiguously arranged where the individual genes are either identical in sequence, or essentially so (SO:0005851)." + "Sequence change introduced by an in vitro construct generated by internal deletion of some genomic sequence or cDNA." + + "A biosample that is derived from only a single cell." + "A phenotypic attribute is described as showing a maternal effect when the phenotype of an individual is a manifestation of the genotype of the mother, rather than the genotype of the individual." + "An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the pharate adult stage." + "Mutation caused by a recombination event that causes the unequal exchange of small intralocus regions, usually leading to the formation of duplication and deficiency products." + "A project study design that aims to compare different wild-type strains for a given species." + "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by binding to a small molecule, such as an ion or ligand. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate small molecule stimulus is applied." + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 574-610nm." "MI:0732" + "Publication in the Arabic language." + "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." "Wikipedia:Cysteine KNApSAcK:C00001351 KEGG:C00736 KNApSAcK:C00007323" + "Phenotype that is any abnormality in the size of cells in a whole animal or in some specific organ, tissue or clone of cells compared to wild-type." + + "High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms (from CHEBI)." + "A work consisting of a formal presentation made usually to fulfill requirements for an academic degree." "MeSH:D019478" + + "Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites." + "A method that uses 454 sequencing, a form of high-throughput sequencing with 400-500 nt read length, for this assay." + "Phenotype that is any abnormality in immune response (GO:0006955). 'immune response' is defined as: 'Any immune system process that functions in the calibrated response of an organism to a potential internal or invasive threat.'" + "A compound in which two monosaccharides are joined by a glycosidic bond." "KEGG:C01911" + + "A phenotype that is a decrease in the size of the whole body or some body part compared to wild-type." + "A phenotype that is an increase in the size of the whole body or some body part compared to wild-type." + "An allele shown by molecular evidence to make a functionally wild-type gene product at increased levels or with increased activity where this increased expression or activity occurs at some temperatures but not others." + "Expression across a contiguous block of two or more segments of the blastoderm." + + "A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction." + + + "Phenotype that is a disposition to paralysis under conditions that do not cause paralysis in a wild-type animal. Paralysis is defined as an inability to exhibit `multicellular organismal movement` (GO:0050879)" + "A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." + "A result that maps the relative position of genes and other sequence landmarks." + "Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom." + "Any chemical (FBcv:0000525) that has role some intercalator (CHEBI:24853)." + "A spatial quality inhering in a bearer by virtue of the bearer's being located near in space in relation to another entity." "PATO:0002259" + "A systematic effort to annotate gene models on a sequenced Drosophila genome, such as those conducted for D. melanogaster at the Celera Jamboree. Annotations may be performed manually or automatically." + "Mutation caused by a recombination event between tandem repeats of rRNA genes that causes unequal chromatid exchange at crossing over and a reduction in the number of functional copies. It leads to an aggravation of phenotype, in the case of a mutation causing a change from a wildtype to mutant phenotype or a change from a mutant to a more severe mutant phenotype." + "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances (from CHEBI)." + "Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups." + "Mutation caused by hybrid dysgenesis that results from the action of the P-element." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of larval locomotory behavior (GO:0008345). 'larval locomotory behavior' is defined as: 'Locomotory behavior in a larval (immature) organism.'." + + + "A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae." "Wikipedia:Mitomycin" + + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to facilitate the detection of a specific cell population by an experimental method." + "No definition for CHEBI:27666." + "Rank that describes the usefulness of mutants according to their phenotype." + "The radioactive isotope of phosphorus with relative atomic mass 31.973907 and half-life of 14.26 days (from CHEBI)." + + "Any methoxyflavanone that is flavanone substituted by a methoxy group." + "A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy." "Wikipedia:Allergen" + "A phenotype of a population that is the death of some significant number of animals in that population as immature adults (after eclosion but before the end of adult stage A3 (FBdv:00006012))." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the larval stage." + "A publicly available document. It includes individual articles, such as research papers and reviews, and collections of articles, such as scientific journals." + "Contrary to expectation, does not make a condition better." + "Phenotype that is any abnormality in entrainment of circadian clock by photoperiod (GO:0043153), which is defined as: 'The synchronization of a circadian rhythm to photoperiod, the intermittent cycle of light (day) and dark (night).'" + "Compounds of the general formula SO3HOR where R is an organyl group" + "A collection of transgenic constructs that are available as fly stocks." + "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." + "A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a \"R\" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure." "Wikipedia:Refrigerant" + "No definition for CHEBI:13941." + "WebElements:F" + + "Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives." + "Catalytically inactive fragment of a recombinase that can be used to reconstitute a functional recombinase when brought together in vivo with a complementary split recombinase fragment, where the process that brings the complementary fragments together can be regulated in response to a particular stimulus." + "Phenotype that is any abnormality in eclosion (GO:0007562). 'eclosion' is defined as: 'The emergence of an adult insect from a pupa case.'" + "A project that characterizes an organism's genome sequence." + "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases." + "A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units." + "KEGG:C03216 KEGG:C02269" + + "An allele that at high temperatures but not low temperatures, either makes a normally functioning gene product but at higher levels or in a different spatial or temporal pattern to wild-type, or a product with increased or novel activity compared to wild-type." + "Publication in the Korean language." + "A univalent group formed by removing a hydrogen atom from a hydrocarbon." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of the activity of a specific signal transduction pathway." + + "A result that represents a set of small molecules identified for a given sample." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of the redox state of a cell/tissue." + "Any animal metabolite produced during a metabolic reaction in mammals." + "A cyclic compound having as ring members atoms of the same element only." + "Mutation caused by a male recombination event induced by male recombination factor 31.1 MRF which is present in second chromosomes extracted from a population in Patras, Greece." + "Phenotype that is an increase in the total amount or frequency of feeding behavior (GO:0007631) over a given time interval, compared to wild-type. 'feeding behavior' is defined as: 'Behavior associated with the intake of food.'" + + "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." "KEGG:C01371" + "A carboxamide derived from a monocarboxylic acid." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and confers a specific property that can be used to stochastically label cells in the same sample with different colors of fluorescent protein. This property can be exploited to study cell morphology and to track lineages of clonally related cells." + "Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects." "Wikipedia:Insecticide" + + + "An assay that characterizes transcriptional regulatory elements using formaldehyde-assisted isolation of regulatory elements (FAIRE) and high-throughput sequencing." + "Component that forms part of a 'split system'. A split system component corresponds to a non-functional fragment of a functional experimental tool that would normally be encoded by a single gene product. When combined with another appropriate split system component in vivo, a functional experimental tool is produced. The fragments of a split system can be brought together in vivo in a number of different ways; for example, by fusing fragments to peptides that physically interact in vivo." + + "A set of biological data from a single study. Corresponds to the NCBI bioproject, GEO series or SRA study." + "A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization." "Wikipedia:Antimetabolite" + "A metal cation with a valence of two." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of copulation (GO:0007620). 'copulation' is defined as: 'The act of sexual union between male and female, involving the transfer of sperm.'." + "An allele that at some temperatures but not others, either makes a normally functioning gene product but at higher levels or in a different spatial or temporal pattern to wild-type, or a product with increased or novel activity compared to wild-type." + "A sample that is derived from a controlled mating between individuals of two specific species." + "Restricted to lateral region(s) of some specified type." + "Sequence that forms part of the protein encoded by a transgenic locus or modified endogenous locus and which allows a protein to be inactivated by the chromophore-assisted light inactivation (CALI) technique. The tag consists of a peptide sequence that specifically binds a membrane-permeable, chromophore-containing molecule. When activated using a pulse of high-intensity light that is absorbed by the chromophore but not by cellular components, the membrane-permeable molecule generates short-lived reactive oxygen species which inactivate the tagged protein to which the molecule is bound via the chromophore-assisted light inactivation tag." + "A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides." "KEGG:C01775" + "A phenotype that is a reduction in the ability to produce fertilized eggs as a result of mating to below 50% of wild-type." + + "A work consisting of an account of the events, works, and achievements, personal and professional, during a person's life. This class includes articles on the activities and accomplishments of living persons as well as the presentation of an obituary." "MeSH:D019215" + "A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms." + "An analysis that results from the sequencing of RNAs from multiple highly purified samples." + "Any saturated fatty acid lacking a side-chain." + "A poison that interferes with the function of the kidneys." + "An oxoacid containing a single carboxy group." + "An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response." + + "Phenotype that is any abnormality in mating behavior (GO:0007617). 'mating behavior' is defined as: 'The behavioral interactions between organisms for the purpose of mating, or sexual reproduction resulting in the formation of zygotes.'" + "Mutation induced by exposure to radiation." + "An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group" + "An allele that either makes no functional gene product, makes reduced levels of a normally functioning gene product or makes a gene product with reduced activity compared to wild-type." + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and confers a specific property that facilitates detection of a molecule that is not part of or directly encoded by the genome." + "A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to stimulate the activity of a neuron, where this property can be regulated by irradiation with a pulse of light." + "A phenotype that is a disruption in the wild-type pattern of segments or parasegments of the embryo or larva." + "A phenotype of a population that is the death of all animals in that population during the third instar larval stage." + "Phenotype characterized by closely associated necrosis and melanization." + "10-60% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent." + "A monocyclic arene that is benzene substituted with one or more alkyl groups." + "Material that has undergone the depletion of single-stranded RNA." + "Any purine having at least one amino substituent." + "Mutation caused by the mobilization of a P-element by the transposase produced from the helper plasmid p pi25.7wc. This plasmid is a P-element from which the 3' terminus has been deleted, making it unable to integrate into the host's DNA. It has an additional 23 base pairs deletion of the 3' terminus compared to p pi25.1." + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the pupal stage." + + "Qualifier that describes the spatial characteristics of a phenotype or expression pattern." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of grooming behavior (GO:0007625). 'grooming behavior' is defined as: 'The specific behavior of an organism relating to grooming, cleaning and brushing to remove dirt and parasites.'." + "An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4)." "Wikipedia:Amidase" + "Any inorganic anion with a valency of three." + "An enzyme that mediates an exchange reaction between two DNA templates, resulting in integration of DNA from one of the templates into the other. An integrase binds a pair of compatible recognition sites (typically called attP and attB) which each contain a short integration core flanked by imperfect inverted repeats that are not identical. Exchange between the attP/attB pair results in the formation of hybrid sites (typically called attL and attR) that are no longer a substrate of the integrase. Thus the exchange reaction driven by an integrase is unidirectional. Mutually exclusive pairs of recognition site have been engineered for some integrases. Integrases can be used to generate many different types of genetic modification, with the outcome being influenced by the relative orientation (direct or inverted), relative location and composition of the two recognition sites. The types of possible modification include deletion of DNA, generation of chromosomal rearrangements, integration of DNA into the genome, and replacement of genetic material with that from a donor plasmid using recombination-mediated cassette exchange (RMCE)." + "Phenotype that is any abnormality in learning (GO:0007612). 'learning' is defined as: 'Any process in an organism in which a relatively long-lasting adaptive behavioral change occurs as the result of experience.'" + "Phenotype that is a decrease in the efficacy of medium-term memory (GO:0072375) relative to controls. 'medium-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received at a time ago that is intermediate between that of short and long term memory (30min - 7hrs in Drosophila melanogaster).'" + "A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised." "Wikipedia:Carbamic_acid DrugBank:DB04261 PDBeChem:OUT KEGG:C01563" + "Any inhibitor of a DNA polymerase." + "Expression is limited to virgin females." + "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms." "Wikipedia:HCl MetaCyc:HCL KEGG:D02057 KEGG:C01327 HMDB:HMDB0002306 Wikipedia:Hydrochloric_acid" + + "A phenotype of female sterility due to defects in the female germline." + "An assay of 5' capped transcripts, using CAGE to biotinylate and isolate the 7-methylguanosine cap, with subsequent characterization by high-throughput sequencing." + "A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds." + + "The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety." + "WebElements:Pt" + "Mutation caused by exposure to a temperature that is higher or lower than 25 degrees Celsius." + "Qualifier that describes the language of the publication." + "80-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms." + "A phenotype that is an increase in the rate of death in a population at any stage of life (during development or adulthood), over the rate seen in a wild type control population." + + "Any substituent group or skeleton containing carbon." + + "Wikipedia:Benzopyran" + "A phenotype of a population that is the death of a significant proportion of animals in that population during the embryonic stage." + "A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring." + "0-30% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom (from CHEBI)." + "Publication in the Dutch language." + "A phenotypic attribute is described as semidominant when individuals heterozygous for the allele show phenotypes part way between homozygotes for either allele." + "No definition for CHEBI:27919." + "A phenotype of a population that is the death of the majority of animals in that population during the prepupal stage." + "A clone of cells that share a genotype." + "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2)." "Wikipedia:Glutamine_synthetase" + "0-20% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "An amino compound in which the amino group is linked directly to an aromatic system." + + "A substance used in the prophylaxis or therapy of virus diseases." + "A molecular entity that contains no carbon (from CHEBI)." + + + "0-50% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "A role played by the molecular entity or part thereof which causes the development of a pathological process." + "60-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "A polycyclic aromatic hydrocarbon." "Wikipedia:Polycyclic_aromatic_hydrocarbon" + "A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid." + "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2 (from CHEBI)." + "Any abnormality in larval locomotory behavior (GO:0008345), which is defined as 'Locomotory behavior in a larval (immature) organism.'." + "Any substance that interacts with tubulin to inhibit polymerisation of microtubules." + "A compound containing at least one carbon-bromine bond." "MetaCyc:Bromide Wikipedia:Organobromine_compound" + "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en + + + "Mutation induced by exposure to deuteron radiation." + "DrugBank:DB00970 KEGG:C06770 Wikipedia:Dactinomycin KEGG:D00214 LINCS:LSM-5783" + + "An allele inferred from genetic evidence to make a normal gene product at increased levels or with increased activity compared to wild-type, where this increased amount or activity is present at some temperatures (non-permissive temperatures) but not others (permissive temperatures), and where the genetic evidence consists of the observation that extra copies in the genome increase the expressivity and/or penetrance of the phenotype at the non-permissive temperatures." + "Non-functional fragment of a transcriptional activator ('driver') that includes a transcription activation domain and which can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment that encodes a DNA-binding domain, for example by including a compatible physical interaction domain or split intein fragment in each of the complementary split driver fragments." + + "Sequence change caused by a site specific recombination catalyzed by the serine recombinase phiC31 integrase that recognizes a minimal high-efficiency attP recognition site of 39 base pairs and a minimal high-efficiency attB recognition site of 34 base pairs. The attP and attB sites contain imperfect inverted repeats flanking a short recombination core (TTG) that provides directionality." + "Publication in the Icelandic language." + "A biosample that is derived from one individual." + "An analysis that results from the comparison of expression profiles for different conditions to identify genes that are regulated by those conditions." + "An allele inferred to make a gene product that is antagonistic to the wild-type gene product at high temperatures (restrictive temperatures) but not at lower temperatures (permissive temperatures) from the observation that, at the non-permissive temperatures, the phenotype over a deficiency is stronger than that over a wild-type allele, which in turn is stronger than that in the presence of a duplication of the wild-type locus." + "PDBeChem:O" + "Sequence that forms all or part of a transgenic locus or modified endogenous locus and which can be used to modify a gene product of interest in a defined manner." + "Phenotype that is an increase in the efficacy of short-term memory (GO:0007614) relative to controls. 'short-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received a short time (up to about 30 minutes) ago. This type of memory is typically dependent on direct, transient effects of second messenger activation.'" + "Non-functional fragment of a transcriptional activator ('driver') that can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment, where the process that brings the complementary fragments together can be regulated by binding to a small molecule, such as an ion or ligand." + "Phenotype that is any abnormality in hatching behavior (GO:0035187). 'hatching behavior' is defined as: 'The specific behavior of an organism during the emergence from an egg shell. In Drosophila for example, the larva swings its head reiteratively through a semicircular arc, using its mouth hooks to tear apart the chorion in front of it and thus free itself from within the egg shell.'" + + "A project that characterizes the intraspecific variation of an organism's genome." + + "An allele that makes a gene product that is functionally equivalent to wild-type but which at low temperatures is present in a lesser amount or with lowered activity, and that retains normal function at higher temperatures." + "A spatial quality inhering in a bearer by virtue of the bearer's being located toward the belly or lower surface of an organism relative to another entity." "PATO:0001196" + + "A compound containing at least one carbon-halogen bond (where X is a halogen atom)." "MetaCyc:Organohalogen-Compounds KEGG:C01322" + + "An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated)." + "Phenotype that is any abnormality in response to cold (GO:0009409). 'response to cold' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a cold stimulus, a temperature stimulus below the optimal temperature for that organism.'" + "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings (from CHEBI)." + "Assay method used to generate an allele." + "An assay that identifies and characterizes of proteins and their post-translational modifications by mass spectrometry." + "A combination of two or more 'split system components' that together reconstitute a functional experimental tool." + "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en + "Publication in the Flemish language." + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes a catalytically inactive fragment of an enzyme whose activity can be used to detect the presence of that protein product when complementary split reporter enzyme fragments are brought together in vivo. Fragments may be brought together when fused to peptides that physically interact, permitting the study of protein-protein interactions." + "Intended use of the molecular entity or part thereof by humans." + "An antagonist at the A2A receptor." "Wikipedia:Adenosine_A2A_receptor" + "A set of related web pages containing content such as text, images, video, audio, etc., prepared and maintained as a collection of information on a particular subject." + "Sequence change caused by the cleavage of an 18 base pair DNA sequence by the I-SceI endonuclease." + "Any organic molecular entity that is acidic and contains carbon in covalent linkage." + "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group." + + "A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid." + "An analysis that results in the identification of discrete transcription start site regions." + + "10-30% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "50-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A phenotype due to genotype g1 is enhanceable by genotype g2 if (and only if) the phenotype due to the genotype g1g2 is more severe than the sum of phenotypes due to g1 and g2, where all comparisons are under identical environmental conditions." + + "Publication in the Norwegian language." + "Sequence change introduced by using an in vitro construct that contains a fusion of the regulatory region of one gene on to the coding region of another. Examples in FlyBase include heat shock constructs, FRT flip out constructs and reporter genes." + "Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms." + "An organic cation obtained by protonation of the amino group of any tertiary amino compound." + "The carbon oxoanion resulting from the removal of a proton from carbonic acid." "MetaCyc:HCO3 KEGG:C00288 Wikipedia:Bicarbonate HMDB:HMDB0000595 PDBeChem:BCT" + "A substance used in a chemical reaction to detect, measure, examine, or produce other substances." + "An allele shown by molecular evidence to produce a gene product with a novel function or expression pattern (compared to wild-type) at low temperatures but not higher temperatures." + "A work consisting of documents granted by a government giving exclusive rights to an inventor or assignee to manufacture, use, or sell an invention for a certain number of years." "MeSH:D020490" + "A cyclic compound having as ring members atoms of at least two different elements." + "The data type content of a dataset." + "Sequence change induced by chromosomal segregation." + "Material that is derived from the isolation of metabolites." + "A phenotype in which the aging process is slower than in wild-type." + "A phenotype that is the inability of females to produce fertilized eggs as a result of mating." + + "An allele that at some temperatures but not others either makes no functional gene product or makes reduced levels of a normally functioning gene product or makes a gene product with reduced activity compared to wild-type." + "Phenotype that is any abnormality in anesthesia-resistant memory (GO:0007615). 'anesthesia-resistant memory' is defined as: 'The memory process that results in the formation of consolidated memory resistant to disruption of the patterned activity of the brain, without requiring protein synthesis.'" + "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en + "A molecule that features two fused rings." + "Any organic ion with a net negative charge." + + "60-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens)." + "A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom." + "An enzyme that mediates a recombination exchange reaction between two DNA templates, each containing a specific recognition site. The recognition site for a particular site-specific recombinase is defined by the enzyme itself. The recognition site contains perfect inverted repeats flanking an asymmetric spacer. Under normal conditions, the two recognition sites are identical and are reformed during the recombination event, and thus the reaction is bidirectional: recombination can occur in both 'forward' and 'reverse' directions. However, recognition sites can be mutated to drive the directionality of the reaction: different classes of site may be combined so that recombination can occur in one direction, but produces reformed sites that are no longer compatible. In addition, mutually exclusive sites have been engineered for some recombinases. Recombinases can be used to generate many different types of genetic modification, with the outcome being influenced by the relative orientation (direct or inverted), relative location and composition of the two recognition sites. The types of possible modification include deletion of DNA, generation of chromosomal rearrangements, integration of DNA into the genome, and replacement of genetic material with that from a donor plasmid using recombination-mediated cassette exchange (RMCE)." + "A written or recorded communication directed at members of the news media for the purpose of announcing something ostensibly newsworthy." + "A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols." "Wikipedia:Diol" + "Allele shown by molecular evidence to make either a functionally wild-type gene product at increased levels or a gene product with the same function as wild-type but with increased activity." + "Phenotype that is an increase in the number of cells in a whole animal or in some specific organ, tissue or clone of cells compared to wild-type." + "Heavy nuclear particle: proton or neutron." + "Phenotype that is any abnormality in short-term memory (GO:0007614). 'short-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received a short time (up to about 30 minutes) ago. This type of memory is typically dependent on direct, transient effects of second messenger activation.'" + "Mutation induced by exposure to neutron radiation." + "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by irradiation with a pulse of light. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate light stimulus is applied." + "A method that uses an RNA-seq assay in which only one end of the library fragment is sequenced." + + "Genotype g1 is a non-enhancer of variegation of the phenotype due to genotype g2 if, and only if, g2 has a variegated phenotype and the degree of variegation caused by g1g2 is not greater than that caused by g2 alone." + "A spatial quality inhering in a bearer by virtue of the bearer's being located toward the back or upper surface of an organism relative to another entity." "PATO:0001233" + "An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation." + + "Mutation induced by exposure to 226Ra alpha rays." + "An allele shown by molecular evidence to produce a gene product with a novel function or expression pattern (compared to wild-type) at some temperatures but not others." + "An allele shown by molecular evidence to completely lack function at some temperatures (restrictive temperatures) but not at others (permissive temperatures)." + + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak equal or greater than 670nm." + "Random oligomers that have been used to prime first strand cDNA synthesis by reverse transcriptase at random positions along transcripts." + "An allele that at low temperatures but not high temperatures, either makes no functional gene product, makes reduced levels of a normally functioning gene product or makes a gene product with reduced activity compared to wild-type." + "Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself." + "Any hydroxynaphthalene derivative that has a single hydroxy substituent." + + "A result that represents the mapping of coordinates between two different genome assemblies for a given species." + + "Present in the correct location but in smaller numbers than in wild-type." + "Phenotype that is any abnormality in locomotory behavior (GO:0007626). 'locomotory behavior' is defined as: 'The specific movement from place to place of an organism in response to external or internal stimuli. Locomotion of a whole organism in a manner dependent upon some combination of that organism's internal state and external conditions.'" + "A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells." + "Mutation induced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene." + + + "Phenotype that is any abnormality in circadian mating behavior (GO:0035648). 'circadian mating behavior' is defined as: 'The fluctuation in mating behavior that occurs over an approximately 24 hour cycle.'" + "A haloalkane that is bromoethane substituted by chlorine at position 2 (from CHEBI)." + "A substance used in the treatment or control of nematode infestations." + "An inorganic cation with a valency of two." + "A sample that has been exposed to one or more forms of chemical agent." + "PDBeChem:SFO" + + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which is used to regulate the activity of the tagged gene product." + "No definition for CHEBI:25813." + "A clone of somatic cells that share a genotype that is different from the genotype of the animal in which it resides and from which it is derived." + "An allele that, at some temperatures but not others, makes a gene product with a novel function or expression pattern compared to wild-type." + "A spatial quality inhering in a bearer by virtue of the bearer's being extended on all sides of another entity simultaneously." "PATO:0001772" + "An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*)." "Wikipedia:Oxidoreductase" + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and which can be used to target a gene product for degradation in a defined manner." + + + "Phenotype that is a decrease in the efficacy of short-term memory (GO:0007614) relative to controls. 'short-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received a short time (up to about 30 minutes) ago. This type of memory is typically dependent on direct, transient effects of second messenger activation.'" + "Genes whose products act in a specified signal transduction or metabolic pathway." + "An organic anion of general formula RS(=O)2O(-) where R is an organyl group." + "Qualifier that describes the relation between two phenotypes that are due to genotypes g1 and g2." + "Phenotype that is any abnormality in oviposition (GO:0018991) despite production of eggs. 'oviposition' is defined as: 'A reproductive behavior that results in the deposition of eggs (either fertilized or not) upon a surface or into a medium such as water.'." + "Contrary to expectation, does not make a condition worse." + "An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of trypanothione-disulfide reductase (EC 1.8.1.12)." "Wikipedia:Trypanothione-disulfide_reductase" + "90-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Phenotype that is any abnormality in eclosion rhythm (GO:0008062). 'eclosion rhythm' is defined as: 'The timing of the emergence of the adult fly from its pupal case, which usually occurs at dawn.'" + "An assay that maps the genome-wide position, orientation and amount of transcriptionally engaged RNA polymerase by global run-on sequencing." + "Any compound that has a nucleobase as a part." + + "Expression in odd, but not even numbered segments of the blastoderm." + "A phenotype of a population that is the death of all animals in that population during the P-stage." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property used to ablate a specific cell or anatomical structure, where this property can be regulated by irradiation with a pulse of light." + "An allele that completely lacks function (i.e. whose gene productive is completely inactive) at low temperatures, but that retains at least some function at higher temperatures." + "Phenotype that is any abnormality in visual behavior (GO:0007632). 'visual behavior' is defined as: 'The behavior of an organism in response to a visual stimulus.'" + "20-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + + "10-50% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "A record of a protein sequence in some standard format, such as UniProtKB." + "Genotype g1 is enhancer of genotype g2 if (and only if) the phenotype due to the genotype g1g2 is more severe than the sum of phenotypes due to g1 and g2, where all comparisons are under identical environmental conditions." + + "A descriptor that describes some aspect of a dataset." + "A collection of transposable element insertions available as fly stocks." + + "Phenotype that is any abnormality in the electrophysiological properties of some class of neurons, muscles or other anatomical structure of the nervous system. Examples of these phenotypes at the neuron class level include defects in spontaneous or evoked excitatory junction potential. Examples at a more gross anatomical level include abnormal retinal electrophysiology (e.g.- measured by an electroretinogram)." + "A work consisting of an announcement or statement of recent or current events of new data and matters of interest in the field of medicine or science, published in a scientific journal." "MeSH:D016433" + "Phenotype that is a decrease in body size compared to identically raised wild-type controls." + "A phenotype that is any abnormality in body color compared to wild-type." + "Mutation caused by hybrid dysgenesis that results from the mobilization of the hobo element." + "Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances." + + "No definition for CHEBI:21184." + "A result that provides the expression values for all (or some subset) of genes in a given biological sample." + + + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the prepupal stage." + "A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom." "KEGG:C00069" + "A phenotypic effect which is expressed in and limited to cells of the mutant genetic constitution under investigation is said to be cell autonomous." + "The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated." + "A stock with one or more chromosomes (balancers) that are used primarily for their ability to preserve a stock genotype without selection." + "A macromolecule formed by a living organism." + "Mutation caused by PM hybrid dysgenesis that is induced by the higher frequency of recombination in certain male chromosomes." + "A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone." "KEGG:C11715 HMDB:HMDB0015607 Wikipedia:Lucanthone DrugBank:DB04967" + "An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands)." + "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum." "LINCS:LSM-6449 HMDB:HMDB0015466 DrugBank:DB01394" + "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-NH group of donors (EC 1.5.*.*)." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein either to a specific subcellular location within the cell or for secretion to the extracellular space." "SO:0001527" + "A project type that is not described by other more specific terms." + "Catalytically inactive fragment of a recombinase. A functional recombinase can be reconstituted when complementary split recombinase fragments are brought together in vivo, for example by fusing the fragments to peptides that physically interact." + "Phenotype that is any abnormality in mitotic cell cycle (GO:0000278). 'mitotic cell cycle' is defined as: 'Progression through the phases of the mitotic cell cycle, the most common eukaryotic cell cycle, which canonically comprises four successive phases called G1, S, G2, and M and includes replication of the genome and the subsequent segregation of chromosomes into daughter cells. In some variant cell cycles nuclear replication or nuclear division may not be followed by cell division, or G1 and G2 phases may be absent.'" + "DrugBank:DB04196" + + "Experimental treatment method that a biosample has been subjected to." + "Allele that makes a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + "Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group." + "A molecular entity containing one or more atoms of a transition element." + "Mutation induced by exposure to 1,6-dimethylsulfonoxy L-mannitol." + "A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme which covalently tags neighboring macromolecules, facilitating the subsequent purification or detection of the tagged macromolecules by an experimental method." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of mating behavior (GO:0007617). 'mating behavior' is defined as: 'The behavioral interactions between organisms for the purpose of mating, or sexual reproduction resulting in the formation of zygotes.'." + "An allele shown by molecular evidence to completely lack function at low temperatures (restrictive temperatures) but not at high temperatures (permissive temperatures)." + + "A role is particular behaviour which a material entity may exhibit." + "Publication in the Japanese language." + "A project study design investigating the biological mechanisms of the cell responsible for maintaining or controlling aspects of the cell cycle." + + + "A project that characterizes the occupancy profile of a factor that binds directly or indirectly to the genome." + "PDBeChem:CO3" + "Sequence change caused by a DNA recombination process that results in the unidirectional transfer of genetic material from a donor sequence to a highly homologous acceptor (GO:0035822)." + "20-40% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Phenotype expressed only in the presence of some specific drug (CHEBI:23888) whose presence does not induce the same defect in wild-type animals." + + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of cell adhesion (GO:0007155). 'cell adhesion' is defined as: 'The attachment of a cell, either to another cell or to an underlying substrate such as the extracellular matrix, via cell adhesion molecules.'" + "Mutation induced by exposure to the stratosphere." + "A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated)." + "An allele that is inferred to make a gene product with a novel function or expression pattern compared to wild-type based on the evidence that the phenotype is unaffected by extra or fewer doses of the wild-type gene." + "An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid." + + "A cyclic compound having as ring members atoms of carbon and at least of one other element." + "An organofluorine compound is a compound containing at least one carbon-fluorine bond." "MetaCyc:Fluorides" + "A mildly satirical mockery or parody of a conventional publication type." "MeSH:D020480" + "Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules." + "An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom." + "Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin)." + "A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages." + "Phenotype that is any abnormality in sensory perception of smell (GO:0007608). 'sensory perception of smell' is defined as: 'The series of events required for an organism to receive an olfactory stimulus, convert it to a molecular signal, and recognize and characterize the signal. Olfaction involves the detection of chemical composition of an organism's ambient medium by chemoreceptors. This is a neurological process.'" + "Substance which produces loss of feeling or sensation." + "A peptide sequence used to target a tagged protein for export from the nucleus to the cytoplasm, where this property can be regulated by irradiation with a pulse of light." + "A defined linked collection of atoms or a single atom within a molecular entity." + "Any N-acyl-amino acid in which the amino acid moiety has D configuration." + "A sample that is maintained in conditions comparable to constant light." + "Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring." + "A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied)." + "Qualifier that describes the expression pattern of an embryo." + "Expression in alternate segments of the blastoderm." + "A carbopolyclic compound comprising of three carbocyclic rings." + "A project study design that aims to characterize the biological mechanisms responsible for the development or maintenance of the sex-related properties of an organism." + "Mutation induced by exposure to epoxy hydrocarbon." + "No definition for CHEBI:25234." + + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and confers a specific property that facilitates detection of that protein product by an experimental method." + "60-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Sequence change caused by a site specific recombination catalyzed by the serine recombinase Bxb1 integrase that recognizes a minimal high-efficiency attPX recognition site of 48 base pairs and a minimal high-efficiency attBX recognition site of 38 base pairs. The attPX and attBX sites share an 8bp common core flanked by imperfect inverted repeats (19bp in attPX and 8bp in attBX). A non-palindromic central dinucleotide (5'-GT) determines the directionality of integration." + "Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa." "Wikipedia:Volatile_organic_compound" + "Publication in the Faroese language." + "A substance that destroys or inhibits replication of viruses." + "Phenotype that is any abnormality in aging." + "A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct." + "A result that groups individual cells into populations sharing a similar transcriptional profile." + "50-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc)." + "Change of a genomic sequence via homologous recombinational repair (GO:0000724) that is induced by a double strand break within an engineered homologous donor sequence. This typically generates a tandem duplication of the homologous sequence from the donor, separated by the remainder of the incoming donor DNA. However, more complicated outcomes are possible." + "A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group." + "A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals." + "A spatial quality inhering in a bearer by virtue of the bearer's being located more centrally than another entity." "PATO:0001195" + "A carboxylic acid containing one or more amino groups." "Wikipedia:Amino_acid" + + "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum (from CHEBI)." + "A metal fluoride salt with a Na(+) counterion." "KEGG:C08142 KEGG:D00943 Wikipedia:Sodium_Fluoride" + "Mutation induced by transposable activity caused by the gypsy retrovirus. The gypsy element is a 7.5 kilobases in length with 482 base pairs terminal repeats. Mobilization is induced by the activity of the gypsy element transposase." + "An RMCE target element contains a region of DNA sequence flanked by a pair of target sites for a recombinase or an integrase, which are arranged such that this target sequence cassette can be replaced with donor sequence from a compatible RMCE donor element via recombination-mediated cassette exchange (RMCE). For RMCE mediated by a recombinase, the target cassette is flanked by two non-identical recombinase target sites that each carry a different mutation in the spacer sequence of the target site; this renders the two sites incompatible with each other. A compatible RMCE donor cassette is flanked by the same pair of non-identical sites; in the presence of recombinase, a double recombination event between the identical sites on the donor and target sequences results in replacement of the target cassette with the donor cassette. In the case of RMCE mediated by an integrase, the RMCE cassette is flanked by identical integrase target sites, while a compatible RMCE donor cassette is flanked by copies of the orthogonal integrase target site; in the presence of integrase, a double recombination event results in the target cassette being replaced with that of the donor cassette. In this case, if the flanking sites are in inverted orientation, replacement of the target cassette can occur in either direction." + "Chemical element with atomic number 53 (from CHEBI)." + "Dominant phenotype consisting of short slender bristles and delayed development. Homozygotes are cell lethal." + + "40-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Benzenediols that have the hydroxy substituents in the 1- and 4-positions." + "Publication in the English language." + "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups (from CHEBI)." + "An enzyme that catalyzes hydrolysis of DNA in a site-specific manner, having a cognate recognition site of 20-30bp. When used in vivo, the DNA cutting stimulates cellular repair mechanisms, which can be exploited to produce genome modifications. For example, repair by homologous recombination in the presence of an exogenous template can be used to introduce targeted changes into the genome." + "Qualifier that describes a phenotype that has reduced penetrance or expressivity when compared to wild-type." + "Material that has been selected using affinity purification." + "Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin." + "Publication in the Roman language." + "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." "KEGG:C02057 Wikipedia:Phenylalanine" + "Phenotype expressed only in the presence or absence of light, which may be white light or particular wavelength(s)." + "A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H)." "KEGG:C01450 Wikipedia:Ketone" + "Mutation induced by exposure to non-ionizing radiation." + "A collection of wild-type fly strains." + "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups) (from CHEBI)." + "Sequence that has a property that allows specific binding to another macromolecule, where this property can be regulated by binding to a small molecule, such as an ion or ligand." + "Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*)." "Wikipedia:Hydrolase" + "A protein that converts from one fluorescent state to another fluorescent state (with a changed emission spectrum peak) over time." + "A method that uses an Affymetrix Gene Expression Array, version 1, for this assay." + "70-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A phenotype that is the inability to produce fertilized eggs as a result of mating." + "A short report describing a single stand-alone research finding that is peer-reviewed and published." + + "An aldehyde resulting from the formal oxidation of methanol." "DrugBank:DB03843 PPDB:359 Wikipedia:Formaldehyde KEGG:D00017 PDBeChem:FOR KEGG:C00067 HMDB:HMDB0001426 MetaCyc:FORMALDEHYDE" + "Mutation caused by the activity of the hobo element, mobilized by an hobo transposase which is produced from the supplied P-element helper plasmid HBL1." + "Some sequence contigs have been connected across gaps to create scaffolds, but no scaffolds have been placed on chromosomes." + + "A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity." "KEGG:C16722 KEGG:C00028" + "A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O)." "KEGG:C00086 PDBeChem:URE Wikipedia:Urea YMDB:YMDB00003 KNApSAcK:C00007314 HMDB:HMDB0000294 KEGG:D00023 ECMDB:ECMDB04172 MetaCyc:UREA PPDB:1728 DrugBank:DB03904" + "Phenotype that is any abnormality in response to temperature stimulus (GO:0009266). 'response to temperature stimulus' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a temperature stimulus.'" + "An allele that, at high temperatures but not lower temperatures, makes a gene product with normal function but at higher levels or with higher activity than in wild-type." + + "A food additive which is added to flour or dough to improve baking quality and/or colour." "Wikipedia:Flour_treatment_agent" + "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively." + "Genes whose protein products form a macromolecular complex (GO:0043234)." + "Any L-alpha-amino acid carrying an N-acyl substituent." "KEGG:C02850" + "A phenotype of a population that is the death of a significant proportion of animals in that population prior to becoming a mature adult, where mature is defined as after adult stage A3 (FBdv:00006012)." + + "The genotype g1 is a non-suppressor of genotype g2 if (and only if) the phenotype due to g2 is not made less severe by g1." + "A biosample derived from a multicellular structure comprising similar cells with some specific function, typically isolated by dissection." + "Sequence change introduced by an in vitro construct that contains the wild-type open reading frame of a gene (without introns), the expression of which is controlled by a wild-type promoter of the same gene. Such constructs are often generated by fusing a cDNA to a genomic region containing promoter sequences, or more rarely by deletion of introns and other non-essential sequences from a genomic region, leaving a wild type coding region and promoter intact." + "Expressed in mated males." + "Sequences that have been mapped to mitotic or polytene chromosomes to guide genome assembly." + + + "The 9H-tautomer of purine." "Wikipedia:Purine" + "A subatomic particle known to have substructure (i.e. consisting of smaller particles)." + "Phenotype that is any abnormality in dorsal/ventral axis specification (GO:0009950). 'dorsal/ventral axis specification' is defined as: 'The establishment, maintenance and elaboration of the dorsal/ventral axis. The dorsal/ventral axis is defined by a line that runs orthogonal to both the anterior/posterior and left/right axes. The dorsal end is defined by the upper or back side of an organism. The ventral end is defined by the lower or front side of an organism.'" + + "Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism." "Wikipedia:Poison" + "Mutation caused by a spontaneous event." + "A work consisting of a statement issued by one or more authors of an article or a book, withdrawing or disavowing acknowledgement of their participation in performing research or writing the results of their study." "MeSH:D016440" + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of locomotory behavior (GO:0007626). 'locomotory behavior' is defined as: 'The specific movement from place to place of an organism in response to external or internal stimuli. Locomotion of a whole organism in a manner dependent upon some combination of that organism's internal state and external conditions.'." + + + "A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant." "Wikipedia:Busulfan DrugBank:DB01008 KEGG:C06862 Patent:US2917432 LINCS:LSM-5388 KEGG:D00248" + + "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol." "Wikipedia:Methyl_methanesulfonate KEGG:C19181 MetaCyc:CPD-7038" + "A project that characterizes the set of small molecules in an organism." + "Methods pertaining to the experimental treatment or isolation of a biosample." + "Allele inferred to make a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity from the observation that extra copies in the genome decrease the expressivity and/or penetrance of the phenotype. Most commonly this evidence takes the form of experiments showing that the homozygote (2 copies) has a weaker phenotype than the allele in trans to a deletion of the gene (1 copy))." + "An allele shown by molecular evidence to produce a gene product with a novel function or expression pattern compared to wild-type." + "Material that has undergone the depletion of double-stranded RNA." + "Any compound that inhibits cell division (mitosis)." "Wikipedia:Mitotic_inhibitor" + "Phenotype only expressed under conditions where calorie intake is restricted." + "A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." + "An inorganic sodium salt having hydrogensulfite as the counterion (from CHEBI)." + "A gene trap cassette is designed to interrupt transcription of an endogenous locus upon integration of the cassette into the genome. The basic components of a gene trap cassette are a promoterless gene with an upstream splice acceptor site. Upon integration into an intron, splicing from the genomic splice donor site to the splice acceptor site in the cassette results in a transcriptional fusion containing the endogenous exon(s) upstream of the insertion fused to the gene sequence encoded by the cassette. Any open reading frame (ORF) encoded by the trap cassette gene may be translated from this transcriptional fusion either as a translational fusion with any ORF sequence encoded by the upstream exons, or if an internal ribosome entry site (IRES) or viral 2A-like peptide sequence (which promotes ribosome skipping) is present upstream of the gene trap ORF, it may be produced as a separate protein expressed under the control of the regulatory sequences of the endogenous locus. Gene trap insertions are usually mutagenic, disrupting the locus into which they have inserted, since termination sequences are usually present at the 3' end of the cassette, truncating the endogenous transcript. Depending on the nature of the gene encoded by the gene trap cassette, a gene trap insertion may directly report the expression pattern of the disrupted locus (e.g. if it encodes a reporter enzyme or fluorescent protein), or it may be used to drive expression of any gene of interest in the pattern of the trapped locus (e.g. if it is a driver that forms part of a binary expression system). A gene trap cassette may be inserted into a genome as part of a transgenic construct via transposable-element-mediated transgenesis, or may be inserted directly into a modified endogenous locus via a genome engineering method such as homologous recombination or CRISPR." "SO:0001477" + "A result that represents a set of RNA-protein interactions for a given sample." + "An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen." + "Material that is derived from the isolation of translated messenger RNA." + "An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues." + + "A molecular entity consisting of two or more chemical elements." + "PDBeChem:OH" + "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid." + "Any carboxylic acid containing two carboxy groups." "KEGG:C02028" + + "A phenotype of a population that is the death of all animals in that population at some stage or stages prior to eclosion from the pupal case (the end of the P-stage)." + "A hydroxyether that is ethanol substituted by a methoxy group at position 2 (from CHEBI)." + "Mutation induced by exposure to ionizing radiation." + "Sequencing the full extent of selected large clones, typically by sub-cloning large inserts as smaller fragments, to improve the accuracy and completeness of an assembly." + "A hydroxyflavanone carrying three hydroxy substituents." + + "Phenotype only expressed at high temperatures." + "Transactivator ('driver') that forms part of a binary expression system and whose activity is regulated by irradiation with a pulse of light. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. Use of a light-regulated driver permits further refinement of this expression pattern." + + "An allele that makes a gene product with a novel function or expression pattern compared to wild-type." + + "A genomic mapping profile that does not distinguish between forward and reverse strand mapping." + "A docking element is an element that has been introduced into a site in the genome to allow integration of DNA at a defined location; this neutralizes the problem of position effects that are seen with non-specific insertion techniques such as transposable-element-mediated transgenesis. A docking element contains a single target site for an integrase, allowing subsequent integration of DNA into this site from a donor element via integrase mediated recombination. The docking element in the genome typically contains the 'attB' site and the donor plasmid contains the 'attP' site, since this directionality gives higher integration rates compared to the alternative combination where the 'attB' site is integrated into the genome. A docking element insertion is typically selected to be 'benign' (that is it does not result in disruption of an endogenous locus) and to show a high rate of integration in the presence of integrase." + "An assay that uses a large set of mutations to identify genes that are involved in some biological process." + "Any N-acylamino acid having L-configuration." + "30% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of the activation state of a specific gene product." + "30-50% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A work that has not been formally published." "MeSH:D022902" + "70-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "The genotype g1 is a suppressor of genotype g2 if (and only if) the phenotype due to g2 is made less severe by g1." + "A result that represents a set of protein-protein interactions for a given sample." + "Nucleus of the (3)H atom." + + + "Phenotype that is any abnormality in locomotor rhythm (GO:0045475). 'locomotor rhythm' is defined as: 'The rhythm of the locomotor activity of an organism during its 24 hour activity cycle.'" + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to inhibit the activity of a neuron, where this property can be regulated by temperature." + "An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group." "KEGG:C00241" + + "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively (from CHEBI)." + "The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group." + "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by binding to a small molecule, such as an ion or ligand. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate small molecule stimulus is applied." + "Qualifier that describes an expression pattern of a segment polarity gene. Expression is observed in a specific location in each segment." + "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom." + "Any substance which is added to food to preserve or enhance its flavour and/or appearance." "Wikipedia:Food_additive" + "A result that profiles the genome occupancy for some factor." + "There is sequence for one or more chromosomes. This could be a completely sequenced chromosome without gaps or a chromosome containing scaffolds or contigs with gaps between them. There may also be unplaced or unlocalized scaffolds." + + + + "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel (from CHEBI)." + "Non-functional fragment of a transcriptional activator ('driver') that can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment, where the process that brings the complementary fragments together can be regulated by irradiation with a pulse of light." + "An assay characterizing of small RNA species 17-35 nt in size by high-throughput sequencing." "EFO:0008947" + "KEGG:C06061" + "Restricted to ventro-lateral region of some specified type." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of phototaxis (GO:0042331). 'phototaxis' is defined as: 'The directed movement of a motile cell or organism in response to light.'" + "Expressed in virgin males." + "The RK3 rank describes mutants that are of limited usefulness." + "Mapping of restriction enzyme recognition sites to develop a physical map of a genome." + "A result that represents a set of genes that share similar expression characteristics across some set of conditions." + "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by irradiation with a pulse of light. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate light stimulus is applied." + "10-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A project study design investigating the effects of a biotic stimulus on some aspect of an organism." + "Phenotype that is any abnormality in response to starvation (GO:0042594). 'response to starvation' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a starvation stimulus, deprivation of nourishment.'" + "Repressor that can be used to regulate expression in a binary expression system and whose activity is regulated in response to a particular stimulus. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder. Use of a conditional repressor permits further refinement of this expression pattern." + "A phenotype of a population that is the death of the majority of animals in that population during the P-stage." + "A work consisting of a critical analysis of one or more books or other monographic works." "MeSH:D022921" + "The aim of the project investigation, as defined by the key variables in the set of experiments." + "An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3." + "Phenotype that is an increase in body weight compared to identically raised wild-type controls." + "An allele inferred to make a gene product that is antagonistic to the wild-type gene product at some temperatures (restrictive temperatures) but not at others (permissive temperatures) from the observation that, at the non-permissive temperatures, the phenotype over a deficiency is stronger than that over a wild-type allele, which in turn is stronger than that in the presence of a duplication of the wild-type locus." + "An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class." + "Mutation induced by exposure to 137Cs gamma rays." + "An assay that maps nucleosome positions by using micrococcal nuclease to cleave linker DNA with the subsequent isolation of mononucleosomal DNA fragments that are characterized by genome tiling array." + "A biosample that was synthesized in a laboratory." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of adult locomotory behavior (GO:0008344). 'adult locomotory behavior' is defined as: 'Locomotory behavior in a fully developed and mature organism.'." + "Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings." + + "Any metabolite (endogenous or exogenous) found in human blood serum samples." + "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents (from CHEBI)." + "Sequence that has a property that allows specific binding to another macromolecule." + "KEGG:C07642" + "Embryonic/larval segmentation phenotype in which some fraction of each segment (along the anterior-posterior axis) is deleted and replaced by a mirror image duplication of the remaining part of the segment." + "An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)" "Wikipedia:Transferase" + "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring." "KEGG:C15584 MetaCyc:Phenols Wikipedia:Phenols" + + + "Compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen." + "Phenotype that consists of abnormal growth of a tissue or organ due to increased numbers of cells, but in which the affected tissue or organ does not maintain its normal form." + "A molecular entity having a net electric charge." + "An EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.5.1.*)." + "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids." "KEGG:C01356" + "A Daphnia metabolite produced by the species Daphnia magna." + "A sample in which a biological specimen has been separated into individual cells by using enzymes." "EFO:0009128" + "Material that has been selected using short sequences of deoxy-thymine nucleotides to affinity purify RNA containing long polyA stretches." + "At the anterior tip of the egg or pre-gastrula embryo." + "Publication in the Chinese language." + + "A halide anion formed when chlorine picks up an electron to form an an anion." "KEGG:C00115 KEGG:C00698 PDBeChem:CL" + "Phenotype that is a defect in endocytosis (GO:0006897). 'endocytosis' is defined as: 'A vesicle-mediated transport process in which cells take up external materials or membrane constituents by the invagination of a small region of the plasma membrane to form a new membrane-bounded vesicle.'" + "A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter." "KEGG:C00287 Wikipedia:Ester" + "Restricted to unknown part(s) of a specified type." + "An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell." + "A phenotype that is a reduction in the ability of females to produce fertilized eggs as a result of mating, but only to > 50% of wild-type." + "Publication in the Slovenian language." + "Publication in the Indonesian language." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the activity of the tagged gene product being regulated in response to a particular stimulus." + "No definition for CHEBI:22526." + "A phenotype that is the inability to synthesize some organic compound that can be synthesized by wild-type animals, and that is required for normal growth and/or development." + + "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids." "Wikipedia:Fatty_acid KEGG:C00162" + "Phenotype that is any abnormality or in or absence of a jump response (GO:0007630). The jump response in Drosophila is a reflex escape response that can be triggered by a number of signals including odor and light. Standard assays are commonly used to test odor and light induced jump response." + "Any plant metabolite that is found naturally as a component of a volatile oil." "Wikipedia:Essential_oil" + "A project study design investigating the biological mechanisms responsible for the control or maintenance of development." + "A propellant that is used to expel foods from an aerosol container." + "Any molecule that consists of at least one carbon atom as part of the electrically neutral entity." + + "Any abnormality in adult locomotory behavior (GO:0008344), which is defined as 'Locomotory behavior in a fully developed and mature organism.'." + "A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction." "Wikipedia:Ryanodine_receptor" + "A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans." + "KEGG:C06266 WebElements:B" + "Publication in the Russian language." + "Sequence change caused by a site specific recombination event catalyzed by the tyrosine recombinase FLPase, that recognizes minimal FLP recombination target (FRT) sites of 34 base pairs. For site specific integration, the recombination site consists of 48 base pairs containing an additional isolated base pair and a third 13 base pair direct repeat." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the nucleus." + "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom." "HMDB:HMDB0031305 Wikipedia:Oxirane KEGG:D03474 KEGG:C06548" + "A substance that inhibits or prevents the proliferation of neoplasms." + "A unit of expression (reads per million miRNA reads) in which high-throughput sequencing reads for a given miRNA are normalized against all reads mapping to all miRNA." + "Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure)." + "A monocyclic aromatic hydrocarbon." + "A result that represents the copy number variation across the genome for a given sample." + "A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring." + "A phenotype of a population that is the death of all animals in that population during the prepupal stage." + "An optically active form of glutamic acid having D-configuration." "KEGG:C00217 PDBeChem:DGL MetaCyc:D-GLT DrugBank:DB02517 KNApSAcK:C00019577 HMDB:HMDB0003339" + + "80-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." "KEGG:D01038 HMDB:HMDB0003265 KNApSAcK:C00000970 MetaCyc:CPD-7075 DrugBank:DB04703 LINCS:LSM-2858 KEGG:C09755 Wikipedia:Hesperidin" + "An allele inferred from genetic evidence to have normal activity at low temperatures (permissive temperatures) but to make a gene product with normal function but in a lesser amount or with lowered activity at higher temperatures (non-permissive temperatures). The genetic evidence must consist of an observation extra copies in the genome decrease the expressivity and/or penetrance of the phenotype at non-permissive temperatures. Most commonly this evidence takes the form of experiments showing that the homozygote (2 copies) has a weaker phenotype at non-permissive temperatures than the allele in trans to a deletion of the gene (1 copy))." + "Acridines which are substituted in any position by one or more amino groups or substituted amino groups. Note that the term 'aminoacridine' is the International Prorietary Name (INN) for 9-aminoacridine." + "The assembly represents only part of the organism's genome, because only a single chromosome was targeted, coverage is <1, or total length is less than half the average for other assemblies of the same species." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to inhibit the activity of a neuron, where this property can be regulated by irradiation with a pulse of light." + "Mutation induced by exposure to temperature that is lower than 25 degrees Celsius." + "A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen (from CHEBI)." + + "Phenotype that is a longer adult life-span than wild-type." + "A substance used in the prophylaxis or therapy of infectious diseases." + "The diethyl ester of sulfuric acid." "Wikipedia:Diethyl_sulfate KEGG:C14706 HMDB:HMDB0251240 Chemspider:5931" + + "A divalent inorganic anion resulting from the removal of two protons from ammonia." + "Dominance relationships describe the dependence of the expression of a phenotypic attribute of an allele on the genotype at the locus in question. An allele might be recessive with respect to one phenotypic attribute, but dominant with respect to another." + "Phenotype that is any abnormality in DNA repair (GO:0006281). 'DNA repair' is defined as: 'The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.'" + "Work consisting of speeches read or delivered before an audience or class, especially for instruction or to set forth some subject." + "The cells that are grown in liquid culture." + "A nucleobase whose skeleton is derived from pyrimidine." + "A result that provides the expression values for all (or some subset of) genes in a given biological sample containing cells of a single cell type." + "A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base)." "KEGG:C00701" + "A substance that diminishes the rate of a chemical reaction." + "Supporting content or information, such as animation, datasets, multimedia files, video, movies, audio files, text files, or software, which is submitted for publication in an online journal or an online edition of a journal. This information may be referenced in the text of the article with a link to the supplementary data provided." "MeSH:D058537" + + + "Phenotype that is a reduction in size of an organ or tissue compared to wild-type due to reduced numbers of cells being produced during its development or growth." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to inhibit the activity of a neuron. This is often achieved by inducing membrane hyperpolarization (GO:0060081)." + "An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid)." "KEGG:C00174" + "An article or book published after examination of published material on a subject." "MeSH:D016454" + "Transactivator ('driver') that forms part of a binary expression system and whose activity is regulated in response to a particular stimulus. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. Use of a conditional driver permits further refinement of this expression pattern." + "An allele that makes a gene product that is antagonistic to the function of the wild-type gene product at some temperatures, but not others." + "Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa)." "Wikipedia:https://en.wikipedia.org/wiki/Gas" + "Expression is limited to mated males." + + "Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*)." + "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position" "KEGG:C14592" + + "A method that uses two samples, one a control and the other an experimental sample, for this assay. The samples are labeled in different colors and hybridized to the same oligonucleotide array. Each sample is scanned using different excitation and emission parameters." + + "Mutation caused by hybrid dysgenesis that results from the mobilization of the I-element retrotransposon." + "A phenotype due to genotype g1 is non-enhanceable by genotype g2 if (and only if) the phenotype due to the genotype g1g2 is no more severe than the sum of phenotypes due to g1 and g2, where all comparisons are under identical environmental conditions." + + "Method pertaining to the collection or isolation of a biosample." + "A project study design examining subcellular components of cells including organelles, the nucleus, or any other grouping of intra- or extracellular material." + "A monoatomic entity is a molecular entity consisting of a single atom." + "An engineered antibody consisting of the heavy (VH) and light (VL) chains of an immunoglobulin, separated by a short flexible linker peptide and expressed as a single fusion protein." + "Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms." "Wikipedia:Ferroptosis" + "A role played by a substance that can react readily with, and thereby eliminate, radicals." + "A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid." + "An allele that, is inferred to make a gene product with a novel function or expression pattern compared to wild-type at some low temperatures (non-permissive temperatures) but not higher temperatures (permissive temperatures), based on the evidence that the phenotype at the non-permissive temperature is unaffected by extra or fewer doses of the wild-type gene." + + "A publication containing a collection of separate articles written by distinct authors." + "Any metabolite (endogenous or exogenous) found in human urine samples." + "A phenotype of a population that is the death of all animals in that population during the second instar larval stage." + "A method that uses a peptide array, a subtype of microarray chip, for this assay." + "An enzyme that mediates a recombination exchange reaction between two DNA templates, each containing a specific recognition site (defined by the enzyme itself), where the activity of the enzyme can be regulated by binding to a small molecule, such as an ion or ligand." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to stimulate the activity of a neuron. This is often achieved by inducing membrane depolarization (GO:0051899)." + "Publication in the Farsi language." + "A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*)." + + "Mutation induced by exposure to 60Co gamma rays." + "A project that describes a large material resource that is accessible to the community." + "Any metabolite produced by metabolism of a xenobiotic compound." + "An enzyme that mediates a recombination exchange reaction between two DNA templates, each containing a specific recognition site (defined by the enzyme itself), where the activity of the enzyme can be regulated in response to a particular stimulus." + "Mononucleosomal fragments, generated by micrococcal nuclease cleavage at linker DNA between nucleosomes, that have been isolated by gel electrophoresis." + + "A fluorescent protein whose spectral properties can be modulated by exposure to light of a specific wavelength, triggering a conformational change of the fluorophore and subsequent change in fluorescent state." + + "A method that uses Illumina sequencing, a form of high-throughput sequencing, for this assay." + "40-60% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "An anion consisting of more than one atom." + + + "Phenotype that is a change in the strong tendency, seen in wild-type Drosophila melanogaster, to climb - a behavior otherwise known as negative gravitaxis (GO:0048060 ; movement away from the source of gravity)." + "A biosample consisting of cells that were isolated from animal tissue and cultured in vitro for a limited amount of time." + "KEGG:C11687" + "Publication in the Yiddish language." + "A substance (or active part thereof) that kills or slows the growth of bacteria." + + + + "An allele inferred to make a gene product that is antagonistic to the wild-type gene product at low temperatures (restrictive temperatures) but not at high temperatures (permissive temperatures) from the observation that, at the non-permissive temperatures, the phenotype over a deficiency is stronger than that over a wild-type allele, which in turn is stronger than that in the presence of a duplication of the wild-type locus." + "A member of the class of butanediols that is butane in which two of the hydrogens have been replaced by hydroxy groups." + "Phenotype that is any abnormality in cytokinesis (GO:0000910). 'cytokinesis' is defined as: 'The division of the cytoplasm and the plasma membrane of a cell and its partitioning into two daughter cells.'" + + "No definition for CHEBI:26491." + "Publication in the Latvian language." + "A collection of genomic DNA clones available as plasmids. This may include BAC, YAC, fosmid, cosmid and P1 clone collections." + + "Present in the correct location but in larger numbers than in wild-type." + "Phenotype that is any abnormality in sensory perception of touch (GO:0050975). 'sensory perception of touch' is defined as: 'The series of events required for an organism to receive a touch stimulus, convert it to a molecular signal, and recognize and characterize the signal. This is a neurological process. The perception of touch in animals is mediated by mechanoreceptors in the skin and mucous membranes and is the sense by which contact with objects gives evidence as to certain of their qualities. Different types of touch can be perceived (for example, light, coarse, pressure and tickling) and the stimulus may be external or internal (e.g. the feeling of a full stomach).'" + "A pyrimidine carrying one or more oxo substituents." + "A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia" "Wikipedia:Daphnia" + "A chemically diverse class of peptides that exhibit antimicrobial properties." "MetaCyc:Peptide-Antibiotics" + "A phenotype of a population that is the death of the majority of animals in that population during the pupal stage." + "No definition for CHEBI:21183." + + "Genes whose products act in a specified biological process." + + "A list of species found in a specified area." + + + "Sequence change caused by the cleavage of specific DNA sequences by zinc finger nucleases (ZFNs). ZFN proteins comprise a DNA binding domain linked to the DNA cleavage domain of FokI endonuclease. The DNA binding domain is composed of three Cys2His2 zinc fingers, with each zinc finger contacting three consecutive base pairs of DNA. The specificity of the binding is determined by the sequence of the three-zinc finger DNA binding domain, which recognizes a 9 base pair sequence. Cleavage requires dimerization of FokI. The endonuclease is directed to a target region by a pair of ZFNs which bind to sequences in close proximity, allowing dimerization and promoting cleavage." + + "Esters or salts of methanesulfonic acid." + "Contrary to expectation, characteristics associated with a given condition are not recapitulated in a different system." + "Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates." "Wikipedia:Carbohydrate" + "Publication in the Hungarian language." + "An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*)." + "Penetrance is the fraction of individuals of a given genotype who exhibit the phenotype associated with that genotype. Penetrance is complete when all the individuals of a given genotype exhibit the phenotype associated with that genotype." + "A substance administered to aid diagnosis of a disease." + "A polyclic compound in which all of the ring members are carbon atoms." + "Phenotype that is any abnormality in sleep (GO:0030431). 'sleep' is defined as: 'Any process in which an organism enters and maintains a periodic, readily reversible state of reduced awareness and metabolic activity. Usually accompanied by physical relaxation, the onset of sleep in humans and other mammals is marked by a change in the electrical activity of the brain.'" + + "A purine nucleobase found in humans and other organisms." "YMDB:YMDB00263 ECMDB:ECMDB00292 KNApSAcK:C00019660" + + "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by a particular stimulus. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate stimulus is applied." + "A phenotype that is any abnormality in the size of the whole body or some body part compared to wild-type." + "Mutation induced by the transposable activity caused by hobo, a DNA transposable element. The hobo element is 3.0 kilobases in length with 12 base pairs inverted terminal repeats. After mobilization by the hobo transposase and upon insertion it generates a flanking duplication of 8 base pairs at the target site upon insertion." + "An EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor that interferes with the action of any such enzyme using NAD(+) or NADP(+) as acceptor (EC 1.8.1.*)." + "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." + + "Any molecular entity consisting of more than one atom." + "Expression is limited to one or other sex by virtue of the particular biology of that sex, rather than the sex-linkage of the genes underlying the attribute." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to regulate the activity of a neuron. This is often achieved by manipulation of membrane potential or synaptic transmission dynamics." + + "A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons)." + "A deoxyribonucleoside containing a pyrimidine base." "MetaCyc:Pyrimidine-Deoxyribonucleosides" + "An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid." + "Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate." "Wikipedia:Ligase" + + "Publication in the Latin language." + "A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human." + "Restricted to central region of some specified type." + "A work consisting of a self-described account." "MeSH:D020493" + "A sample that originated from a wild caught population and is considered true wild type." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property used to ablate a specific cell or anatomical structure, where this property can be regulated by temperature." + "The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid." "KEGG:C02403" + "Some characteristic of an assay pertaining to the methods involved in processing the biological source material or generating the raw output data of the assay." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the Golgi apparatus." + "Material that has been selected using a high salt chromatin extraction, typically 600mM." + "Phenotype that is an increased sensitivity (compared to wild-type) to the toxic effects of some specified chemical. The phrase 'toxic effects' here refers to reversible effects such as inebriation and sedation as well as sustained damage, developmental defects and death." + "Publication in the Serbo-Croat (Roman) language." + "A volatile or volatilizable chemical compound utilized for control of pests in buildings, soil, grain, as well as during processing of goods to be imported or exported to prevent transfer of exotic organisms." "Wikipedia:Fumigation" + "A substance intended to sterilize any organism." "Wikipedia:Chemosterilant" + "Phenotype that is a decrease in the number of cells in a whole animal or in some specific organ, tissue or clone of cells compared to wild-type. This phenotype is not necessarily accompanied by decreased growth - there may be fewer cells in an otherwise normal volume of tissue." + + + "Sequence that forms all or part of a transgenic locus or modified endogenous locus and which can be used to modify an RNA of interest in a defined manner. Examples of RNA engineering include the targeting of an individual transcript for knockdown, and targeted manipulation of RNA splicing or editing." + "Term that describes an allele, balancer, group or publication." + + "20-60% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "A sample that is derived from a primary cell culture." + "Penetrance is the fraction of individuals of a given genotype who exhibit the phenotype associated with that genotype. Penetrance is incomplete when only a percentage of the individuals of a given genotype exhibit the phenotype associated with that genotype." + "An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol." + + "An RMCE donor element contains a region of DNA sequence flanked by a pair of target sites for a recombinase or an integrase, which are arranged such that this donor sequence cassette can be used to replace target sequence of a compatible RMCE target element via recombination-mediated cassette exchange (RMCE). For RMCE mediated by a recombinase, the target cassette is flanked by two non-identical recombinase target sites that each carry a different mutation in the spacer sequence of the target site; this renders the two sites incompatible with each other. A compatible RMCE donor cassette is flanked by the same pair of non-identical sites; in the presence of recombinase, a double recombination event between the identical sites on the donor and target sequences results in replacement of the target cassette with the donor cassette. In the case of RMCE mediated by an integrase, the RMCE cassette is flanked by identical integrase target sites, while a compatible RMCE donor cassette is flanked by copies of the orthogonal integrase target site; in the presence of integrase, a double recombination event results in the target cassette being replaced with that of the donor cassette. In this case, if the flanking sites are in inverted orientation, replacement of the target cassette can occur in either direction." + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity can be used to detect the presence of that protein product." "MI:0365" + "Phenotype that is any abnormality in eye color compared to wild-type." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of proboscis extension reflex (GO:0007637). 'proboscis extension reflex' is defined as: 'The extension, through direct muscle actions, of the proboscis (the trunk-like extension of the mouthparts on the adult external head) in response to a nutritional stimulus.'." + "Sequence change induced by the genetic exchange that takes place between DNA sequences." + "A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups." + "A post-embryonic, macroscopic, anatomical phenotype." + "A phenotype of male sterility due to defects in somatic cells of the testis (FBbt:00006031) or of the products of these cells." + "The full length of the pre-gastrula embryo." + "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol (from CHEBI)." + "Publication in the Greek language." + "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages." "LINCS:LSM-37020 Wikipedia:Ethyl_carbamate DrugBank:DB04827 HMDB:HMDB0031219 KEGG:C01537" + + "An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl." "Wikipedia:Ester KEGG:C02391" + + "A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions." "Wikipedia:Astringent" + "Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids." + "An angular ortho-fused polycyclic arene consisting of four fused benzene rings." "Patent:DE481819 Wikipedia:Tetraphene KEGG:C14317 Patent:DE486766" + "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." + "Phenotype that is a decreased tendency for radiation exposure to cause toxic effects." + + "Phenotype that is any abnormality in optomotor response: a motor response during flight or walking that serves to stabilize both image formation on the retina and locomotor course." + "The RK2 rank describes mutants that are usable but less convenient." + "Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases." + "Any molecule that consists of a series of atoms joined together to form a ring." "Wikipedia:Cyclic_compound" + "A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides." + "Expression pattern which varies in intensity following a gradient in the anterior-posterior axis." + "Phenotype that is any abnormality in cell growth (GO:0016049). 'cell growth' is defined as: 'The process in which a cell irreversibly increases in size over time by accretion and biosynthetic production of matter similar to that already present.'" + "Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances." + + "An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group." + "Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element." + "Expressivity measures the extent to which a given genotype is expressed at the phenotypic level. 'Low expressivity' conveys that phenotype expressed is a much reduced version compared to complete expressivity." + "Restricted to anterior region of some specified type." + "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." + "Material that has been selected using formaldehyde-assisted isolation of Regulatory Elements or FAIRE." + "Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV." "Wikipedia:Electron KEGG:C05359" + "A phenotype of a population that is the death of the majority of animals in that population during the larval stage." + + "Sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an epitope that can be used to detect the presence of the tagged protein product. An epitope (SO:0001018) is defined as 'A binding site that, in the molecule, interacts selectively and non-covalently with antibodies, B cells or T cells.'" + + "A phenotype of a population that is the death of all animals in that population as immature adults (after eclosion but before the end of adult stage A3 (FBdv:00006012))." + "Publication in the French language." + "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en + "A biosample that is derived from multiple individuals." + "Any organonitrogen heterocyclic compound based on a phenazine skeleton and derivatives." + + + + "A result that represents a set of genes that have some shared characteristic." + "An allele that makes a gene product that is antagonistic to the function of the wild-type gene product." + "A method for quantifying the transcriptome of individual cells, in which transcripts isolated from single nuclei are subjected to high-throughput sequencing and mapping to a reference genome." "EFO:0009809" + "Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-))." + + "An analysis that results in the identification of discrete DNA or RNA binding sites." + "A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group." + + "A phenotype of a population that is the death of all animals in that population during the larval stage." + "A sample that contains a transfected agent which has been stably incorporated into the genome." + "PDBeChem:CO3 KEGG:C01353" + "Phenotype that is any abnormality in thermotaxis (GO:0043052). 'thermotaxis' is defined as: 'The directed movement of a motile cell or organism in response to a temperature gradient. Movement may be towards either a higher or lower temperature.'" + "A project study design investigating the effects of a physical stimulus on some aspect of an organism." + "Any compound having a pyrimidine as part of its structure." + + "Term that describes the use of an experimental tool." + "A clone of somatic cells that share a genotype that is different from the genotype of the animal and are intentionally generated in a specific tissue of the organism." + + "The analysis of a gene expression profiles to define sets of genes that share similar expression characteristics." + "An assay that characterizes copy number variation of the genome in a sample using genome tiling array." + "Mutation caused by a male recombination event induced by a male recombination factor which is present in chromosomes extracted from a population in Haifa, Israel." + "MolBase:1644 PDBeChem:BO3 KEGG:C12486 PPDB:2136 KEGG:D01089 BPDB:2136" + "Phenotype that is a shorter adult life-span than wild-type." + "Descriptor that relates to aspects of a balancer." + "Phenotype that is an increased tendency for radiation exposure to cause toxic effects." + + "Material that is derived from the isolation of chromatin and its subcellular components and/or binding partners." + "Expression is limited to mated females." + "Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements." "Wikipedia:Halide" + "Phenotype that is any abnormality in meiotic cell cycle (GO:0051321). 'meiotic cell cycle' is defined as: 'Progression through the phases of the meiotic cell cycle, in which canonically a cell replicates to produce four offspring with half the chromosomal content of the progenitor cell via two nuclear divisions.'" + "Publication in the German language." + "Sequence that has a property that allows specific binding to another macromolecule, where this property can be regulated by temperature." + "Any p-block element belonging to the group 16 family of the periodic table." + "A collection of PCR products used for the synthesis of double-stranded RNA to induce RNA-interference." + "The type of biosample as characterized by its biological source material." + + + "Phenotype that is any abnormality in mating (GO:0007618). 'mating' is defined as: 'The pairwise union of individuals for the purpose of sexual reproduction, ultimately resulting in the formation of zygotes.'" + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of calcium ion concentration." + "Publication in the Italian language." + "An alignment of high-throughput sequences that includes only those reads mapping uniquely to the genome." + "Publication in the Hebrew language." + "A sample that has been labelled in a targeted, cell-specific manner." + "A genomic mapping profile that distinguishes forward and reverse strand distributions." + + + + "40-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + + "Restricted to basal region of some specified type." + "A substance capable of undergoing rapid and highly exothermic decomposition." "Wikipedia:Explosive_material" + "A work consisting of a list of books, articles, documents, publications, and other items, usually on a single subject or related subjects." "MeSH:D016417" + "A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position." "HMDB:HMDB0005782 KNApSAcK:C00000968 Wikipedia:Hesperetin LINCS:LSM-20933 KEGG:C01709 MetaCyc:CPD-7072 DrugBank:DB01094" + + "Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6)." + + "Phenotype that is a decrease in the efficacy of memory (GO:0007613) relative to controls. 'memory' is defined as: 'The activities involved in the mental information processing system that receives (registers), modifies, stores, and retrieves informational stimuli. The main stages involved in the formation and retrieval of memory are encoding (processing of received information by acquisition), storage (building a permanent record of received information as a result of consolidation) and retrieval (calling back the stored information and use it in a suitable way to execute a given task).'" + + "Term that specifies the dataset component type." + "A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3." + "An individual abstract of a presentation at a meeting, congress, conference, symposium, colloquium, seminar, workshop, round table, or other professional gathering." "MeSH:D016416" + "A compound consisting of carbon and hydrogen only." + "Publication in the Portuguese language." + "Any fatty acid anion in which there is no C-C unsaturation." + "Incomplete penetrance or expressivity of a phenotype or incomplete suppression of a phenotype." + "WebElements:Br" + + "No definition for CHEBI:33118." + + "A project study design in which the goal of the study is to examine properties of a specific gene or set of genes." + "Phenotype that is an increase in the amount of cell death in a whole animal or in some specific organ tissue or clone of cells compared to wild-type." + + "A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups." + "Phenotype that is a decreased sensitivity (compared to wild-type) to the toxic effects of some specified chemical. The phrase 'toxic effects' here refers to reversible effects such as inebriation and sedation as well as sustained damage, developmental defects and death." + + + "An inorganic sodium salt having hydrogensulfite as the counterion." + "WebElements:N" + "No definition for CHEBI:30969." + "The 1H-tautomer of purine." + "A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated." "PDBeChem:2HP DrugBank:DB02831" + "Describes the origin of the mutation that causes a phenotype." + + "Publication in the Danish language." + "Genotype g1 is a non-suppressor of variegation of the phenotype due to genotype g2 if, and only if, g2 has a variegated phenotype and the degree of variegation caused by g1g2 is not less than that caused by g2 alone." + "Sequence change introduced by an in vitro construct that uses site directed mutagenesis to target a particular region of the gene resulting in a change to the change to the amino acids sequence encodes.." + "A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*)." + "Sequence change introduced by an in vitro construct designed to generate dsRNA for RNA interference (RNAi) experiments." + + "40-50% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Sequence change caused by the exchange of genetic material during mitosis that occurs at crossing over, and more frequently between homologous chromosomes." + "90% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "A uridine having a bromo substituent at the 5-position." + "A descriptor that describes some aspect of a project." + "Any antimicrobial drug which is used to treat or prevent protozoal infections." "Wikipedia:Antiprotozoal_agent" + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of changes in the mechanical force the gene product is subjected to." + "Any amino acid whose side chain is capable of forming one or more hydrogen bonds." "MetaCyc:Polar-amino-acids" + "A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds." + "Phenotype that is a reduced ability to jump or a reduced jump response. This may be due to neurological or muscular defects." + "Expression in the terminal regions of the embryo/larva: the acron, telson and adjacent segments." + "A poison that interferes with the functions of the nervous system." "Wikipedia:Neurotoxin" + "A 2-aminopurine carrying a 6-oxo substituent." "KNApSAcK:C00001501 PDBeChem:GUN KEGG:C00242 DrugBank:DB02377 Wikipedia:Guanine HMDB:HMDB0000132 MetaCyc:GUANINE" + "Mutation induced by exposure to X rays." + "Component that forms part of a binary expression system. This system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder." + "An allele shown by molecular evidence to make a functionally wild-type gene product at increased levels or with increased activity where this increased expression or activity occurs at low temperatures but not higher temperatures." + + "A project study design that aims to compare different species." + "Any agent that induces nausea and vomiting." + "An assay that identifies and characterizes small metabolites by mass spectrometry." + "KEGG:C14325" + "A phosphorus oxoanion that is the conjugate base of phosphoric acid." + "The cells that are grown on plates." + + "WebElements:Cl" + "Any drug which causes the onset of an allergic reaction." + "A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups (from CHEBI)." + "An assay that characterizes the genome's DNase hypersensitivity using genome tiling array." + "Mutation induced by exposure to 3H-deoxycytidine radiation." + "Phenotype that is any abnormality in response to stress (GO:0006950). 'response to stress' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).'" + "20-30% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Any substance introduced into a living organism with therapeutic or diagnostic purpose." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of courtship behavior (GO:0007619). 'courtship behavior' is defined as: 'The behavior of an organism for the purpose of attracting sexual partners.'." + "Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." "Wikipedia:Flavonoid KEGG:C01579" + "A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." + "An engineered antibody consisting of the antigen-binding variable domain (VHH domain) of a camelid single-domain heavy chain antibody (HCab)." + "An allele that is inferred to make a gene product that is antagonistic to the wild-type gene product from the observations that extra copies of the wild-type allele reduce the expressivity and/or penetrance of the phenotype. So, the phenotype over a deficiency is stronger than that over a wild-type allele, which in turn is stronger than that in the presence of a duplication of the wild-type locus. This test is similar to that used for hypomorphic alleles. An antimorph can be distinguished from a dominant hypermorph as only the former can be reverted to wild-type by deletion of the mutant allele." + "A biosample containing dissociated cells isolated from the organism, typically isolated by affinity capture or sorting methods." + "A project study design involving the use of cultured or extracted cells with an investigative focus of studying a cellular property." + "An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group." "KEGG:C00045 KEGG:C05167" + "No definition for CHEBI:25829." + "Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives." + "A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2)." + "Phenotype that is a change in any kind of rate (e.g. speed, frequency) of any developmental process (GO:0032502) taking place prior to mature adulthood (defined as adult stage A3), compared to wild-type. Note, developmental processes include stages in development of the whole animal (e.g. larval development) as well as specific sub-processes, such as dorsal closure." + "A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid." + "Sequence that has a property that allows specific binding to another macromolecule, where this property can be regulated by irradiation with a pulse of light." + "Mutation induced by treatment in a Bevatron." + "Phenotype that is any abnormality in behavior (GO:0007610). 'behavior' is defined as: 'The internally coordinated responses (actions or inactions) of animals (individuals or groups) to internal or external stimuli, via a mechanism that involves nervous system activity.'" + "Measurement of global transcript abundance by hybridization of cDNA to an oligonucleotide array, in which the array contains a set of probes designed with complementarity to each annotated transcript." + "Phenotype that is a decrease in the efficacy of learning (GO:0007612), relative to controls. 'learning' is defined as: 'Any process in an organism in which a relatively long-lasting adaptive behavioral change occurs as the result of experience.'" + + "Phenotype that is an increase in the number of cells in a tissue or organ, usually associated with an increase in size, where the affected tissue or organ maintains its normal form." + "A publication on a single subject or related subjects that is complete in itself, whether constructed of chapters, sections, or parts, and that is not issued on a regular, ongoing basis. Every chapter is written by the same author or authors of the publication." + + "Phenotype that is an decrease in any kind of rate (e.g. speed, frequency) of cell growth (GO:0016049) in a whole animal or in some specific organ tissue or clone of cells compared to wild-type." + "Phenotype expressed only in the presence or absence of some specific chemical whose presence or absence does not induce the same defect in wild-type animals." + + "Penetrance is the fraction of individuals of a given genotype who exhibit the phenotype associated with that genotype." + "A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid." + "The D-enantiomer of phenylalaninate." + "Phenotype that is any abnormality in establishment of planar polarity (GO:0001736). 'establishment of planar polarity' is defined as: 'Coordinated organization of groups of cells in the plane of an epithelium, such that they all orient to similar coordinates.'" + "Any organic heterocyclic compound containing at least one ring oxygen atom." + "Embryonic/larval segmentation phenotype that is the complete or partial loss of odd segments." + "Phenotype that is a decrease in the efficacy of long-term memory (GO:0007616) relative to controls. 'long-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information a long time (typically weeks, months or years) after receiving that information. This type of memory is typically dependent on gene transcription regulated by second messenger activation.'" + "Thymidine linked to the radioisotope tritium. Used to label DNA in the study of cellular and viral DNA synthesis (from CHEBI)." + "A hydroxyether that is ethanol substituted by a methoxy group at position 2." "PPDB:1639 PDBeChem:MXE MetaCyc:2-METHOXYETHANOL Wikipedia:2-Methoxyethanol DrugBank:DB02806" + "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." "KEGG:D05467 KNApSAcK:C00007408 KEGG:C00009 Wikipedia:Phosphoric_Acid HMDB:HMDB0002142" + "A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants." + "10-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A sample that has undergone fractionation in order to isolate specific subcellular components for study." + "A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells." "Wikipedia:Genotoxicity" + "A straight chain alkane composed of 8 carbon atoms." "MetaCyc:CPD-148 PDBeChem:OCT HMDB:HMDB0001485 DrugBank:DB02440 Wikipedia:Octane KEGG:C01387" + "Phenotype only expressed at low temperatures." + "Phenotype that is an abnormality in body size compared to wild-type animals raised under the same conditions as the animals exhibiting the phenotype." + + "Phenotype that is any abnormality in grooming behavior (GO:0007625). 'grooming behavior' is defined as: 'The specific behavior of an organism relating to grooming, cleaning and brushing to remove dirt and parasites.'" + + "Any haloalkane that consists of an alkane substituted by at least one bromine atom." + + "Catalytically inactive fragment of a recombinase that can be used to reconstitute a functional recombinase when brought together in vivo with a complementary split recombinase fragment, where the process that brings the complementary fragments together can be regulated by irradiation with a pulse of light." + + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme which covalently tags neighboring RNA, facilitating the subsequent purification or detection of the tagged RNA by an experimental method." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being regulated by binding to a small molecule, such as an ion or ligand." + "The sulfur oxoanion formed by deprotonation of sulfonic acid." + "Term that describes a dataset." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme which covalently tags neighboring proteins, facilitating the subsequent purification or detection of the tagged proteins by an experimental method." + + "Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea." + + "A work consisting of a critical or explanatory note written to discuss, support, or dispute an article or other presentation previously published." "MeSH:D016420" + "An assay that uses a panel of deficiencies to systematically delete large segments of the genome to identify those segments that are involved in some biological process." + + "A method that uses the DROP-Seq platform (Macosko et al., 2015) to prepare and sequence a cDNA library." + + "Material that is derived from isolation of genomic DNA." + "A sample that has been exposed to changes in the physical environment including temperature, pressure and radiation." + "Expression is limited to females by virtue of the particular biology of females, rather than the sex-linkage of the gene(s) involved." + "Any metabolite produced by all living cells." + "A phenotype that is a reduction in the ability of males to produce fertilized eggs as a result of mating, but only to > 50% of wild-type." + "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR (from CHEBI)." + "Phenotype that is a decrease in the size of cells in a whole animal or in some specific organ, tissue or clone of cells compared to wild-type. This phenotype is not necessarily accompanied by decreased growth of a tissue - there may be more cells in an otherwise normal volume of tissue." + "50-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "WebElements:H" + "An N-nitro compound that is guanidine in which one of the hydrogens is replaced by a nitro group. It can exist in distinct tautomeric forms, as 1-nitroguanidine (a nitroimine) or 2-nitroguanidine (a nitroamine); in both solid and in solution, the nitroimine form predominates." "Wikipedia:Nitroguanidine" + + "Non-functional fragment of a transcriptional activator ('driver') that can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment, for example by including a compatible physical interaction domain or split intein fragment in each of the complementary split driver fragments." + "Change of a genomic sequence via homologous recombinational repair (GO:0000724) that is induced by a double stranded break in an engineered donor construct that contains sequence homologous to the target gene." + "KEGG:C11481 PDBeChem:SO3" + "Expression pattern that resembles small grains or particles." "PATO:0001759" + "Phenotype that is an increase in the total amount or frequency of sleep (GO:0030431) over a given time interval, compared to wild-type. 'sleep' is defined as: 'Any process in which an organism enters and maintains a periodic, readily reversible state of reduced awareness and metabolic activity. Usually accompanied by physical relaxation, the onset of sleep in humans and other mammals is marked by a change in the electrical activity of the brain.'" + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that exhibits the property of fluorescence, that can be used to detect the presence of that protein product. A fluorescent protein emits light following the absorption of radiation, with the wavelength of the emitted light being longer than the excitation wavelength of the absorbed radiation." "MI:0687" + + "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol." "Wikipedia:Ethyl_methanesulfonate KEGG:C19239" + "Any metabolite produced during a metabolic reaction in marine macro- and microorganisms." + "A phenotypic attribute is described as showing a rescuable maternal effect when the introduction of a wild-type copy of the responsible mutation from the father ameliorates the maternal effect mutant phenotype." + "A naphthol carrying a hydroxy group at position 2." "MetaCyc:CPD-8131 PDBeChem:03V HMDB:HMDB0012322 Wikipedia:2-Naphthol KEGG:C11713 FooDB:FDB000877" + + "An L-alpha-amino acid which is biosynthesised from erythrose 4-phosphate and phosphoenolpyruvate (i.e. phenylalanine, tyrosine, and tryptophan). A closed class." + "Change of a genomic sequence via homologous recombinational repair (GO:0000724) that is induced by a double strand break on both sides of the homologous region in an engineered donor sequence. This double-strand break is usually generated by cutting at a single site adjacent to the homologous region in a circularized donor sequence. This typically generates a simple targeted replacement of the target sequence by the donor sequence. However, more complicated outcomes are possible." + "An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl." "Wikipedia:Methanesulfonic_acid MetaCyc:CPD-3746 KEGG:C11145" + "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3)." "PDBeChem:SO3" + "A nucleus or any of its constituents in any of their energy states." + "Mutation induced by the transposable activity caused by a P-element, a DNA transposable element. The P-element is 2.9 kilobases in length with 31 base pairs inverted terminal repeats. Upon insertion it generates a flanking duplication of 8 base pairs at the target site upon insertion. Mobilization is induced by the activity of a P-element transposase." + "A collection of transgenic constructs, available as fly stocks, designed to target gene knockdown by RNA-interference." + + + + "An EC 5.99.1.* (miscellaneous isomerase) inhibitor that interferes with the action of any of the topoisomerases (enzymes that regulate the overwinding or underwinding of DNA)." "Wikipedia:Topoisomerase" + "A nutrient is a food component that an organism uses to survive and grow." + "Expression pattern which varies in intensity following a gradient in a specific axis." + "Sequence that forms all or part of the RNA product encoded by a transgenic locus or modified endogenous locus and confers a specific property that facilitates detection of that RNA product by an experimental method." + "A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond." + + "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups." "KEGG:C19542 KEGG:D07254 Wikipedia:Triaziquone" + "Any inorganic anion with a valency of one." + "A spatial quality inhering in a bearer by virtue of the bearer's being located further from a more centrally located entity." "PATO:0001234" + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 524-538nm." "MI:0368" + "Substance intended to kill parasitic worms (helminths)." + "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*)." + "Material that has undergone the depletion of ribosomal RNA." + "A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*)." + "Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin." "Wikipedia:Phenylpropanoid" + "Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group." + "Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group." + "A compound that contains two or more hydroxy groups." + "Any hydroxyflavanone carrying two hydroxy substituents." + "A collection of cDNAs available as plasmids." + + "Phenotype that is any abnormality in the anatomy of the nervous system (FBbt:00005093). 'nervous system' is defined as: 'All the nerve centers and nerve fibers in the central, visceral and peripheral nervous systems.'" + "A phenotype of a population that is the death of a significant proportion of animals in that population during the P-stage." + "A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA." + + "A monoatomic monoanion resulting from the addition of an electron to any halogen atom." "KEGG:C00462" + "An enzyme that catalyzes hydrolysis of DNA in a site-specific manner, and in which the specificity is determined by a guide RNA that contains sequence complementary to the DNA sequence of interest, rather than being an inherent property of the nuclease itself." + "A protein trap cassette is designed to tag protein(s) encoded by an endogenous locus upon integration of the cassette into the genome. The basic structure of a protein trap cassette is an artificial exon composed of a splice acceptor site, an open reading frame without initiation and stop codons, and a splice donor site. No promoter sequences are present. Upon integration into a coding intron of an endogenous locus, the open reading frame (ORF) encoded by the artificial exon can be incorporated into ('tag') the protein encoded by the locus. This only occurs if the insertion is in the correct orientation and when the frame of the artificial exon corresponds to that of the preceeding exon. Thus, only one out of six insertions in a coding intron will function as a protein trap. To account for each reading frame, three versions of a given protein trap element, differing only in the splice phase, are typically produced for use in an insertional mutagenesis screen. Depending on the nature of the ORF encoded by the artificial exon, the tag may be used to detect the expression pattern and/or subcellular localization of the protein (e.g. if the tag is an epitope tag or fluorescent protein), to drive expression of a gene of interest (e.g. if the tag is a driver that forms part of a binary expression system), or may modify the properties of the endogenous protein (e.g. if the tag affects protein localization or stability). A protein trap cassette may be inserted into a genome as part of a transgenic construct via transposable-element-mediated transgenesis, or may be inserted directly into a modified endogenous locus via a genome engineering method such as homologous recombination or CRISPR. The presence of the splice acceptor and donor sites mean that a protein trap cassette is not inherently mutagenic, since it is designed to insert in frame into a protein. However, an insertion into an intron that splits a critical functional or localization domain may alter the activity of the encoded protein, and the protein trap tag sequence itself may be designed to alter function (for example targeting the protein to a new location within the cell or altering its stability)." + "An agent used to treat cestode, trematode, or other flatworm infestations in man or animals." + + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to stimulate the activity of a neuron, where this property can be regulated by binding to a small molecule, such as an ion or ligand." + "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine." + "Genotype g1 is a modifier of variegation if, and only if, some genotype g2 has a variegated phenotype and the degree of variegation caused by g1g2 is significantly different from that caused by g2 alone." + "An article reporting original research, published in a peer-reviewed journal." "MeSH:D016428" + "A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups (from CHEBI)." + "A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class." + + "Phenotype that is an increase in the efficacy of long-term memory (GO:0007616) relative to controls. 'long-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information a long time (typically weeks, months or years) after receiving that information. This type of memory is typically dependent on gene transcription regulated by second messenger activation.'" + "Mutation induced by the transposable activity caused by Minos, a DNA transposable element. The minos element is 1.4 kilobases in length with 254 base pairs inverted terminal repeats. It specifically targets TA dinucleotides and generates a flanking duplication of 2 base pairs upon insertion. Mobilization is induced by the activity of the minos transposase." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of cell growth (GO:0016049) in a whole animal or in some specific organ tissue or clone of cells compared to wild-type." + "Phenotype that is a defect in exocytosis (GO:0006887). 'exocytosis' is defined as: 'A process of secretion by a cell that results in the release of intracellular molecules (e.g. hormones, matrix proteins) contained within a membrane-bounded vesicle. Exocytosis can occur either by full fusion, when the vesicle collapses into the plasma membrane, or by a kiss-and-run mechanism that involves the formation of a transient contact, a pore, between a granule (for exemple of chromaffin cells) and the plasma membrane. The latter process most of the time leads to only partial secretion of the granule content. Exocytosis begins with steps that prepare vesicles for fusion with the membrane (tethering and docking) and ends when molecules are secreted from the cell.'" + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of copulation (GO:0007620). 'copulation' is defined as: 'The act of sexual union between male and female, involving the transfer of sperm.'." + "Any chemical (FBcv:0000525) that has role some enzyme inhibitor (CHEBI:23924)." + + "Phenotype that is a inability to jump. This may be due to neurological or muscular defects." + "10-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Restricted to posterior region of some specified type." + "Wild-type allele that can only be distinguished from another one under special conditions." + "Any metal which causes the onset of an allergic reaction." + "Any prokaryotic metabolite produced during a metabolic reaction in bacteria." + "The basic component of a promoter trap cassette is a promoterless gene. This gene is not flanked by splice acceptor or donor sites, and thus the gene within a promoter trap can only be expressed if the cassette integrates into the genome within an exon, resulting in a transcriptional fusion. If the promoter trap gene encodes an open reading frame (ORF) and the insertion is in the correct frame, the trap ORF may be translated from this transcriptional fusion either as a translational fusion with ORF sequence of the disrupted endogenous locus, or if an internal ribosome entry site (IRES) or viral 2A-like peptide sequence (which promotes ribosome skipping) is present upstream of the promoter trap ORF, it may be produced as a separate protein expressed under the control of the regulatory sequences of the endogenous locus. Depending on the nature of the gene encoded by the promoter trap cassette, the insertion may directly report the expression pattern of the 'trapped' locus (e.g. if the gene encoded by the cassette is a reporter enzyme or fluorescent protein), or it may be used to drive expression of any gene of interest (e.g. if the gene encoded by the cassette is a driver that form part of a binary expression system). A promoter trap cassette may be inserted into a genome as part of a transgenic construct via transposable-element-mediated transgenesis, or may be inserted directly into a modified endogenous locus via a genome engineering method such as homologous recombination or CRISPR. Promoter trap insertions are usually mutagenic, disrupting the locus into which they have inserted, since termination sequences are usually present at the 3' end of the cassette, truncating the endogenous transcript." + "A nitroso compound that is any urea in which one of the nitrogens is substituted by a nitroso group" + "Mutation that is caused by a recombination event that causes the breakdown of compound chromosome arms resulting in duplications or deletions in proximal regions." + "A work consisting of an acknowledgement of an error, issued by a publisher, editor, or author." "MeSH:D016425" + "At the posterior tip of the egg or pre-gastrula embryo." + + + "Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas." + "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." "Wikipedia:Glutamic_acid KNApSAcK:C00001358 KNApSAcK:C00019577 KEGG:D04341 KEGG:C00302" + "A sample in which a biological specimen has been separated into individual cells." "EFO:0009091" + "A phenotype of a population that is the death of all animals in that population during the pupal stage." + "An allele inferred to completely lack function at some temperatures (restrictive temperatures) but not others (permissive temperatures) from the observation that addition of extra copies in the genome has no effect on the phenotype at the restrictive temperatures. Most commonly, evidence takes the form of the observation that the phenotype of homozygotes (2 copies) is identical to that seen when the allele is in trans to a deletion of the gene (1 copy)." + + "Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine." + "A phenotype that is a failure of mutant cells to survive." + "A clone of somatic cells that share a mutant genotype that includes being Minute +/+ and that are part of and derived from an animal with a different genotype that includes being Minute +/- and are intentionally generated in a specific tissue of the organism." + "A particle smaller than an atom." "Wikipedia:Subatomic_particle" + "Saturated acyclic nitrogen hydrides having the general formula NnHn+2." + "An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia." "PPDB:1312 HMDB:HMDB0029751 MetaCyc:NAPHTHALENE KNApSAcK:C00001259 PDBeChem:NPY KEGG:C00829 Wikipedia:Naphthalene" + "Phenotype that is any abnormality in medium-term memory (GO:0072375). 'medium-term memory' is defined as: 'The memory process that deals with the storage, retrieval and modification of information received at a time ago that is intermediate between that of short and long term memory (30min - 7hrs in Drosophila melanogaster).'" + "An allele that at high temperatures but not low temperatures, either makes no functional gene product, makes reduced levels of a normally functioning gene product or makes a gene product with reduced activity compared to wild-type." + "An endogenous compound that is used to transmit information across the synapse between a neuron and another cell." "Wikipedia:Neurotransmitter" + "A publication that is not issued on a regular, ongoing basis containing separate articles or chapters (typically reviews) written by different authors on a single subject or related subjects, overseen by one or more editors." + "Thioxanthene and its substitution derivatives." + "An agent that promotes the excretion of urine through its effects on kidney function." + "Compounds containing an aziridine ring that contains a quaternary nitrogen atom." + "Material that is derived from the isolation of RNA from nuclei." + "Phenotype that is any abnormality in response to oxidative stress (GO:0006979). 'response to oxidative stress' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of oxidative stress, a state often resulting from exposure to high levels of reactive oxygen species, e.g. superoxide anions, hydrogen peroxide (H2O2), and hydroxyl radicals.'" + "Transactivator ('driver') that is encoded by a transgenic locus or modified endogenous locus and which forms part of a binary expression system. This system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder." + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in covalent tagging of the protein product with a small molecule whose properties (typically fluorescence) can be used to detect the presence of that protein product." + + + "0-70% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "An allele that, at some low temperatures but not higher temperatures, makes a gene product at with a novel function or expression pattern compared to wild-type." + "A phenotype that is a reduction in the ability of females to produce fertilized eggs as a result of mating to below 50% of wild-type." + "Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure." + "The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects." "BPDB:1749 HMDB:HMDB0000142 Wikipedia:Formic_acid MetaCyc:FORMATE Patent:CN101481304 KEGG:C00058 KNApSAcK:C00001182 PDBeChem:FMT DrugBank:DB01942" + "Nuclei of a single cell type have been isolated with the INTACT (Isolation of Nuclei TAgged in a specific Cell Type) strategy (Henry et al., 2012)." + + "An assay that identifies and characterizes complex carbohydrates by mass spectrometry." + "Genes whose products act in a specified metabolic pathway." + "Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds." + "A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group." "KEGG:C00071" + "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom (from CHEBI)." + "A method used to characterize the biological molecules isolated from a biosample." + "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character." + + "Any ether carrying a hydroxy group at unspecified position." + "Phenotype that is any abnormality in cell migration (GO:0016477). 'cell migration' is defined as: 'The controlled self-propelled movement of a cell from one site to a destination guided by molecular cues.'" + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 474-492nm." "MI:0733" + "Expression pattern that changes throughout the assayed anatomical entity." "PATO:0001227" + "The canonical phenotype of a wild-type Drosophilid." + + "A molecular entity that can transfer an electron to another molecular entity." + + "Any alkali metal salt having sodium(1+) as the cation." + + "Repressor that can be used to regulate expression in a binary expression system and whose activity is regulated by temperature. A binary expression system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder. Use of a temperature conditional repressor permits further refinement of this expression pattern." + "A result that represents a population of cells sharing a similar transcriptional profile." + "WebElements:C KEGG:C06265" + "A monoatomic monocation obtained from sodium." "KEGG:C01330 PDBeChem:NA" + + "Qualifier that describes a particular quality of an observable phenotype." + "An organooxygen compound with formula ROR, where R is not hydrogen." + "Any drug that enhances the activity of the central nervous system." "Wikipedia:Central_nervous_system_stimulants" + "Phenotype that is an increase in the size of cells compared to wild-type." + "Restricted to dorsal region of some specified type." + "A group derived from an arene by removal of a hydrogen atom from a ring carbon atom." + + "A sample that is maintained in conditions comparable to constant darkness." + "No definition for CHEBI:24564." + "A main group molecular entity that contains one or more atoms of a p-block element." + + "An allele that completely lacks function (i.e. whose gene productive is completely inactive) at high temperatures, but that retains at least some function at lower temperatures." + "An assay that identifies and characterizes lipids by mass spectrometry." + + "Anatomical structure that would be present in wild-type is not present." "PATO:0000462" + + "Phenotype characterized by the formation of lumps of melanotic tissue inside the body in the absence of foreign bodies." + "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups." "KEGG:C14595 Wikipedia:N-Methyl-N-nitrosourea" + "A phenotype that is the inability of males to produce fertilized eggs as a result of mating." + "WebElements:Na KEGG:C01330" + "A work consisting of a single or multi-sheet notice made to attract attention to events, activities, causes, goods, or services. It is for posting, usually in a public place and is chiefly pictorial. It is intended to make an immediate impression from a distance." "MeSH:D019519" + + "A pyrimidine 2'-deoxyribonucleoside that is the L-enantiomer of thymine. A synthetic thymidine nucleoside analogue with activity against HBV DNA polymerase." "Wikipedia:Telbivudine KEGG:D06675 DrugBank:DB01265" + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of locomotory behavior (GO:0007626). 'locomotory behavior' is defined as: 'The specific movement from place to place of an organism in response to external or internal stimuli. Locomotion of a whole organism in a manner dependent upon some combination of that organism's internal state and external conditions.'." + "An RNA binding assay of some protein as characterized by cross-linking immunoprecipitation (CLiP) and high-throughput sequencing of co-purifying RNA fragments." + + "Qualifier that relates the expression of a phenotype to the sex of the individual." + + "A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid." "Wikipedia:Carboxylic_acid" + + "An isomerase inhibitor that interferes with the action of any member of the group of 'other isomerases' (EC 5.99.*.*)." + + + "A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively." + "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en + "Phenotype expressed only in the presence of RU486 (CHEBI:50692), also known as mifepristone." + "A phenotypic attribute is described as dominant when it is manifest in individuals heterozygous for the allele that causes that phenotype." + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the larval stage." + "Phenotype that is any abnormality in circadian behavior (GO:0048512). 'circadian behavior' is defined as: 'The specific behavior of an organism that recurs with a regularity of approximately 24 hours.'" + "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third) (from CHEBI)." + + "Chromatin that has been cleaved using micrococcal nuclease to cleave at linker DNA between nucleosomes." + "Engineered sequence that forms all or part of a transgenic locus or modified endogenous locus and that has the property of a 'transcription_regulatory_region' (SO:0001679). 'transcription_regulatory_region' is defined as 'A regulatory region that is involved in the control of the process of transcription.'." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of chemosensory behavior (GO:0007635). 'chemosensory behavior' is defined as: 'Behavior that is dependent upon the sensation of chemicals.'." + + "An allele inferred to make either increased amounts of a normal gene product or a gene product with normal function but increased activity compared to wild-type from the observation that extra copies in the genome increase the expressivity and/or penetrance of the phenotype. Most commonly this evidence takes the form of experiments showing that homozygotes (2 copies) have a stronger phenotype than transheterozygotes to a deletion of the gene (1 copy)." + "A role played by the molecular entity or part thereof within a biological context." + "An allele shown by molecular evidence to completely lack function, producing either a completely inactive gene product or none at all." + "An allele inferred to completely lack function at low temperatures (restrictive temperatures) but not at high temperatures (permissive temperatures) from the observation that adding extra copies in the genome has no effect on the phenotype at the restrictive temperatures. Most commonly, evidence takes the form of the observation that the phenotype of homozygotes (2 copies) is identical to that seen when the allele is in trans to a deletion of the gene (1 copy)." + + "Publication in the Malay language." + "Any compound that causes severe skin, eye and mucosal pain and irritation." "Wikipedia:Blister_agent" + "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." + "A phenotype that becomes more severe with age." + "A phenotypic attribute is described as showing a non-rescuable maternal effect (strict maternal effect) when the introduction of a wild-type copy of the responsible mutation from the father has no ameliorating effect on the maternal effect mutant phenotype." + + + "Expressivity measures the extent to which a given genotype is expressed at the phenotypic level. Expressivity is incomplete when an individual of a given genotype expresses only partially the phenotype associated with that genotype." + + "Phenotype that is an increase in the number of gametes produced." + "A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound." + "Any nucleoside where the sugar component is D-ribose." "KEGG:C00911" + "Expressivity measures the extent to which a given genotype is expressed at the phenotypic level. 'High expressivity' conveys that while expressivity is not complete, the phenotype expressed is approaching that of complete expressivity." + + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 499-519nm." + "An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group)." "Wikipedia:Cofactor_(biochemistry)" + "Phenotype that is any abnormality in entry into diapause (GO:0055115). 'entry into diapause' is defined as: 'The dormancy process that results in entry into diapause. Diapause is a neurohormonally mediated, dynamic state of low metabolic activity. Associated characteristics of this form of dormancy include reduced morphogenesis, increased resistance to environmental extremes, and altered or reduced behavioral activity. Full expression develops in a species-specific manner, usually in response to a number of environmental stimuli that precede unfavorable conditions. Once diapause has begun, metabolic activity is suppressed even if conditions favorable for development prevail. Once initiated, only certain stimuli are capable of releasing the organism from this state, and this characteristic is essential in distinguishing diapause from hibernation.'" + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of cell adhesion (GO:0007155). 'cell adhesion' is defined as: 'The attachment of a cell, either to another cell or to an underlying substrate such as the extracellular matrix, via cell adhesion molecules.'" + "A quantitative method for mapping transcribed regions, in which complementary DNA fragments are subjected to high-throughput sequencing." "EFO:0008896" + + "A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues." "KEGG:C00419" + "A project that constructs models describing the set of transcripts and polypeptides encoded by some group of genes." + "PDBeChem:F KEGG:C00742" + + "A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups." + "Term used to qualify a descriptor." + "A method that uses single molecule sequencing, by highly processive DNA polymerase to generate an extremely long single read on the order of several kilobases, for this assay." + "Sequence change induced by a site specific recombination event catalyzed by the tyrosine recombinase cre. Recombination is induced between two 34 base pairs loxP sites. These consist of two 13 base pair perfect inverted repeats flanking an 8 base pair asymmetric spacer that confers directionality." + "A phenotype that is a decreased occurrence of cell division (GO:0051301). 'cell division' is defined as 'The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.'." + "A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance." + "An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms." + "A result that maps the relative position of genetic markers, where distances are measured by recombination frequency." + "KEGG:C03169" + + "Mutation induced by exposure to a temperature that is higher than 25 degrees Celsius." + "Phenotype that is any abnormality in cell adhesion (GO:0007155). 'cell adhesion' is defined as: 'The attachment of a cell, either to another cell or to an underlying substrate such as the extracellular matrix, via cell adhesion molecules.'" + "A method that uses mass spectrometry, an analytical technique for sorting ions based on mass, for this assay." + "Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included)." "Wikipedia:Quinone" + "An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups." "MetaCyc:Alkanesulfonates" + + "An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids." + "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage (from CHEBI)." + "A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system." + "That part of DNA or RNA that may be involved in pairing." "KEGG:C00701 Wikipedia:Nucleobase" + "An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues." + "An oxidoreductase inhibitor which interferes with the action of an oxidoreductase of class EC 1.8.*.* (acting on a sulfur group of donors)." + "Phenotype that is abnormal co-ordination of motor activity." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to a cellular membrane. The membrane targeting sequence may be an intrinsic component of the membrane (GO:0031224), having some covalently attached portion, for example part of a peptide sequence or some other covalently attached group such as a GPI anchor, which spans or is embedded in one or both leaflets of the membrane; or may be an extrinsic component of the membrane (GO:0019898), being loosely bound to one of its surfaces, but not integrated into the hydrophobic region." + "Substance that produces loss of consciousness." + "30-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "Sequence change introduced by an in vitro construct containing a genomic fragment that partially or fully rescues loss of function mutations or deletions of the gene whose sequence it carries." + "Any compound that supports healthy aging, slows the biological aging process, or extends lifespan." "Wikipedia:Geroprotector" + "An organochlorine compound is a compound containing at least one carbon-chlorine bond." "MetaCyc:Chlorides Wikipedia:Organochloride" + + "KEGG:C00405" + "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by a particular stimulus. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate stimulus is applied." + "Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to a vesicle." + + "Sequence change induced by a recombination event catalyzed by a recombinase that occurs at specific nucleotide sequences." + "No definition for CHEBI:35299." + "Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc." "KEGG:C00012" + "A phenotype of a population that is the death of the majority of animals in that population during the third instar larval stage." + + + + "Any organic molecule that consists of atoms connected in the form of a ring." + "A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity." + "A monoatomic or polyatomic species having one or more elementary charges of the electron." + "A phenotype that is an increased occurrence of cell division (GO:0051301). 'cell division' is defined as 'The process resulting in division and partitioning of components of a cell to form more cells; may or may not be accompanied by the physical separation of a cell into distinct, individually membrane-bounded daughter cells.'." + "A sample in which individuals have been deprived of food." + "The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it." "Wikipedia:Cosmetics" + + "A project study design investigating the effects of a chemical stimulus on some aspect of an organism." + "A method that uses a genomic tiling array, a subtype of microarray chip in which the genome is represented by oligonucleotides at regularly spaced intervals, for this assay." + + "Sequence change caused by a recombination event that causes an unequal exchange of genetic material between homologous or non-homologous regions." + + "Qualifier that describes a phenotype that is intermediate in speed compared to the wild-type." + "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages (from CHEBI)." + "Cations of structure R2C=N(+)R2." + "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups)." "KEGG:D00275 HMDB:HMDB0014656 Patent:DE2318020 MetaCyc:CPD0-1392 Wikipedia:Cisplatin DrugBank:DB00515 MolBase:25 Patent:DE2329485 KEGG:C06911" + "Mutation caused by a male recombination event induced by male recombination factor 23.5 MRF which is present in second chromosomes extracted from a population in Patras, Greece." + "A work consisting of a news item appearing in a general-interest newspaper or other general news periodical, containing information of current and timely interest in the field of medicine or science." "MeSH:D018431" + "N-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant." "Wikipedia:Nitrosamine" + "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups." "KEGG:C19178 Wikipedia:ENU" + "Genes whose products act in a specified signal transduction pathway." + "30-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A project that searches for chemicals, natural or synthetic, that elicit some biological effect." + "A result in which a collection of whole genome shotgun sequences is combined to build successively larger contigs." + "A phenotype that is a reduction in the ability to produce fertilized eggs as a result of mating, but only to > 50% of wild-type." + + "Any monocyclic or polycyclic aromatic hydrocarbon." + "Mutation induced by exposure to gamma rays." + "Any organic substituent group, regardless of functional type, having one free valence at a carbon atom." + "No definition for CHEBI:26800." + "An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity." "KEGG:C00050 Wikipedia:Metal" + "Non-functional fragment of a transcriptional activator ('driver') that includes a DNA-binding domain and which can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment that encodes a transcription activation domain, for example by including a compatible physical interaction domain or split intein fragment in each of the complementary split driver fragments." + "A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites." + "A phenotype of male sterility due to defects in the male germline." + "Material that has been selected using DNA Adenine Methyltransferase Identification, or DamID." + "Allele that corresponds to the wild-type one." + + "The radioactive isotope of phosphorus with relative atomic mass 31.973907 and half-life of 14.26 days." "KEGG:C19162" + "A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens." + + "Any sulfur oxoacid derivative derived from sulfurous acid." + "Material that has undergone the depletion of unbound RNA." + "An optically active form of phenylalaninium having L-configuration." + "A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands." + "An assay that characterizes the genome's DNase hypersensitivity using high-throughput sequencing." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of larval locomotory behavior (GO:0008345). 'larval locomotory behavior' is defined as: 'Locomotory behavior in a larval (immature) organism.'." + "Restricted to medial region of some specified type." + "Sequence that forms all or part of a transgenic locus or modified endogenous locus and which is designed to impact or assess any proximate gene(s) when integrated into the genome." + "A phenotype of a population that is the death of the majority of animals in that population during the embryonic stage." + "KEGG:C02019" + "A type of biomolecule that is isolated from a biosample and characterized by downstream steps in an assay." + "Expression is limited to virgin males." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged gene product either to a specific subcellular location within the cell or for secretion to the extracellular space." + "An allele inferred to completely lack function from the observation that addition of extra copies in the genome has no effect on the phenotype. Most commonly, evidence takes the form of the observation that the phenotype of homozygotes (2 copies) is identical to that seen when the allele is in trans to a deletion of the gene (1 copy)." + "A butanediol that is butane in which one hydrogen of each of the methyl groups is substituted by a hydroxy group. A colourless, water-miscible, viscous liquid at room temperature (m.p. 16degreeC) with a high boiling point (230degreeC), it is mainly used for the production of other organic chemicals, particularly the solvent oxolane (also known as tetrahydrofuran or THF)." "Wikipedia:1,4-Butanediol DrugBank:DB01955 PDBeChem:BU1" + "An allele that completely lacks function, coding either for a completely inactive gene product or none at all." + "An allele shown by molecular evidence to completely lack function at high temperatures (restrictive temperatures) but not at low temperatures (permissive temperatures)." + "The assembly represents the whole genome, though there may still be gaps." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of chemosensory behavior (GO:0007635). 'chemosensory behavior' is defined as: 'Behavior that is dependent upon the sensation of chemicals.'." + "Phenotype that is any abnormality in endomitotic cell cycle (GO:0007113). 'endomitotic cell cycle' is defined as: 'A mitotic cell cycle in which chromosomes are replicated and sister chromatids separate, but spindle formation, nuclear membrane breakdown and nuclear division do not occur, resulting in an increased number of chromosomes in the cell.'" + "Phenotype that is any abnormality in cell cycle (GO:0007049). 'cell cycle' is defined as: 'The progression of biochemical and morphological phases and events that occur in a cell during successive cell replication or nuclear replication events. Canonically, the cell cycle comprises the replication and segregation of genetic material followed by the division of the cell, but in endocycles or syncytial cells nuclear replication or nuclear division may not be followed by cell division.'" + + "Phenotype that is any abnormality in response to osmotic stress (GO:0006970). 'response to osmotic stress' is defined as: 'Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a stimulus indicating an increase or decrease in the concentration of solutes outside the organism or cell.'" + "Phenotype that is any abnormality in or absense of proboscis extension reflex in response to a sugar stimulus via taste sensilla on the tarsus." + "Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds." + "An allele that makes a gene product that is functionally equivalent to wild-type but which at high temperatures is present in a lesser amount or with lowered activity, and that retains normal levels of expression or activity at low temperatures." + "A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics." "Wikipedia:Glycol_ethers" + "Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them." "Wikipedia:Flavonoids" + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by irradiation with a pulse of light." + "A carbohydrate derivative that is formally obtained from a disaccharide." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and confers a specific property that facilitates detection of that gene product by an experimental method." + "A loosely defined grouping of drugs that have effects on psychological function." "Wikipedia:Psychotropic_drug" + + "A p-block molecular entity containing any pnictogen." + "A collection of hybridization targets on a microarray." + "An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case." + "20% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR." "Wikipedia:Nitrogen_mustard" + "A fluorescent protein whose spectral properties are changeable, resulting from a reversible or irreversible change in fluorophore conformation. Changes in fluorophore conformation may occur either as a function of time (in the case of fluorescent timer proteins), or in response to an external trigger such as irradiation with a specific wavelength of light (in the case of photomodulatable fluorescent proteins)." + "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents." "Wikipedia:Dimethyl_sulfoxide DrugBank:DB01093 KEGG:C11143 HMDB:HMDB0002151 PDBeChem:DMS MetaCyc:DMSO LINCS:LSM-36361 KNApSAcK:C00053120 FooDB:FDB000764 KEGG:D01043 Chemspider:659" + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by the cell cycle." + + "Descriptor that relates to aspects of an allele." + "A phenotype of a population that is the death of all animals in that population during the first instar larval stage." + "60% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Nucleotide analogs that are used to map the position and orientation of the RNA polymerase active site." + + "A unit of expression (reads per million reads) in which high-throughput sequencing reads for a given type of feature are normalized against all reads mapping to all features of the same type." + "A protein that can be reversibly switched between a non-fluorescent state and a fluorescent state, or between two different fluorescent states. The switch from one state to the other is triggered by irradiation with a pulse of light of a specific wavelength, and the switch back to the original state is triggered with a pulse of light of another specific wavelength." + "Expressivity measures the extent to which a given genotype is expressed at the phenotypic level. Expressivity is complete when an individual of a given genotype expresses the full phenotype associated with that genotype." + "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups (from CHEBI)." + "Publication in the Afrikaans language." + "Phenotype expressed only in the presence of tetracycline (CHEBI:27902)." + "A record of an analysis carried out by FlyBase that has not been formally published." + "A collection of large chromosomal aberrations, available as fly stocks, which may include duplications, deletions, inversions or translocations." + "An allele shown by molecular evidence to make a normal gene product in normal amounts at low temperatures, but at higher temperatures to make a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + "An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3." + "A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms." + "Measurement of transcribed regions across the genome by hybridization of cDNA to an oligonucleotide array, in which the genome is represented by oligonucleotides at regularly spaced intervals." + + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of adult locomotory behavior (GO:0008344). 'adult locomotory behavior' is defined as: 'Locomotory behavior in a fully developed and mature organism.'." + "Mutation induced by the mobilization of a P-element by the Delta2-3 transposase. The source of Delta2-3 is a stable genomic integration from which the third intron has been deleted." + + "Any bacterial metabolite produced during a metabolic reaction in Escherichia coli." + "WebElements:P KEGG:C06262" + "Chromosome that carries inversions and visible mutations, and which can be used to identify the genotype of an individual." + "An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity." + "A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons." + "Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms." + "A literary or oral work expressing meaning via symbolism and following formal or informal patterns." "MeSH:D055821" + "A collection of transgenic construct insertions available as fly stocks." + "An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group" "MetaCyc:GLT" + "An agrochemical is a substance that is used in agriculture or horticulture." "Wikipedia:Agrochemical" + + + "A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9." "DrugBank:DB01103 KEGG:D08179 Wikipedia:Quinacrine MetaCyc:ATABRINE LINCS:LSM-1577 KEGG:C07339 HMDB:HMDB0015235" + + "Biological source material characterized by an experiment." + "The recognition site for a particular site-specific recombinase, an enzyme that mediates a recombination exchange reaction between two DNA templates, each containing a copy of the recognition site. The recognition site contains perfect inverted repeats flanking an asymmetric spacer. Under normal conditions, the two recognition sites are identical and are reformed during the recombination event, and thus the reaction is bidirectional: recombination can occur in both 'forward' and 'reverse' directions. However, recognition sites can be mutated to drive the directionality of the reaction: different classes of site may be combined so that recombination can occur in one direction, but produces reformed sites that are no longer compatible. In addition, mutually exclusive sites have been engineered for some recombinases. Recombinases can be used to generate many different types of genetic modification, with the outcome being influenced by the relative orientation (direct or inverted), relative location and composition of the two recognition sites. The types of possible modification include deletion of DNA, generation of chromosomal rearrangements, integration of DNA into the genome, and replacement of genetic material with that from a donor plasmid using recombination-mediated cassette exchange (RMCE)." + + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the secretory pathway. This results in the protein either being secreted or inserted into a cellular membrane, depending on the presence of other specific sequences in the tagged protein. The signal sequence must be fused to the N-terminal end of the tagged protein." "SO:0000418" + "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel." "KEGG:C19432" + "Phenotype that is any abnormality in entry into reproductive diapause (GO:0055116). 'entry into reproductive diapause' is defined as: 'The dormancy process that results in entry into reproductive diapause. Reproductive diapause is a form of diapause where the organism itself will remain fully active, including feeding and other routine activities, but the reproductive organs experience a tissue-specific reduction in metabolism, with characteristic triggering and releasing stimuli.'" + "Mutation induced by the transposable activity caused by mariner, a DNA transposable element. The mariner element is 1.3 kilobases in length with 28 base pairs inverted terminal repeats. It specifically targets TA dinucleotides and generates a flanking duplication of these two bases upon insertion. Mobilization is induced by the activity of the mariner transposase." + "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s)." + "Expressed everywhere at some specified stage." + "A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term \"vitamines\" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines." "Wikipedia:Vitamin" + + "Genotype g1 is an enhancer of variegation if, and only if, some genotype g2 has a variegated phenotype and the degree of variegation caused by g1g2 is greater than that caused by g2 alone." + + "A protein that can be converted from one fluorescent state to another fluorescent state (with a changed emission spectrum peak) by irradiation with a pulse of light of a specific wavelength. This conversion is irreversible." + "Mutation induced by exposure to 252Cf fission neutron radiation." + "A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated." "KEGG:C00060" + "Phenotype that is any abnormality in flight (GO:0060361). 'flight' is defined as: 'Self-propelled movement of an organism from one location to another through the air, usually by means of active wing movement.'" + + + "Work consisting of a statement of the opinions, beliefs, and policy of the editor or publisher of a journal, usually on current matters of medical or scientific significance to the medical community or society at large." "MeSH:D016421" + + + "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en + "Phenotype that is any abnormality in body weight compared to identically raised wild-type controls." + "A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone (from CHEBI)." + "An alkane comprising of two carbon atoms." "Wikipedia:Ethane" + "60-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + + "Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus)." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated in response to a particular stimulus." + "KEGG:C19250" + "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." "HMDB:HMDB0000051 MolBase:930 KNApSAcK:C00007267 KEGG:D02916 MetaCyc:AMMONIA PDBeChem:NH3 Wikipedia:Ammonia KEGG:C00014" + "An enzyme inhibitor that inhibits the action of an isomerase (EC 5.*.*.*)." + "An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element." + + "Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives." + "Descriptor that relates aspects of the grouping of genes or gene products." + "A project that reconstructs the evolutionary history of a group of genes or organisms." + + "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae." "KEGG:C11088 PPDB:1484 HMDB:HMDB0060334 MetaCyc:12-DIBROMOETHANE Wikipedia:1,2-Dibromoethane" + + "Mutation induced by exposure to 1,6-dimethylsulfonoxy D-mannitol." + + + "Patent:US3424752 Patent:DE1240870 Wikipedia:Altretamine LINCS:LSM-3492" + "Publication in the Polish language." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the endoplasmic reticulum." + "A phenotypic attribute is described as showing a paternal effect when the phenotype of an individual is a manifestation of the genotype of the father, rather than the genotype of the individual." + "Material that has been selected from a sample treated by deoxyribonuclease." + "A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives." + "The 7H-tautomer of purine." "KEGG:C15587 HMDB:HMDB0001366" + "Sequence change caused by a cleavage of a specific DNA sequence induced by CRISPR (clustered regularly interspaced short palindromic repeats)/Cas9 nuclease system. This system relies on the transcription of a chimeric guide RNA (gRNA) which directs the Cas9 endonuclease to a specified DNA sequence through basepairing to 20 nucleotide CRISPR target sites. These sites are located next to a 3 nucleotide protospacer adjacent motif (PAM) required for DNA cleavage." + "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in bioluminescence, which can be used to detect the presence of that protein product." + "Hydrides are chemical compounds of hydrogen with other chemical elements." + + "Phenotype that is an increase in body size compared to identically raised wild-type controls." + "Patent:US2882209" + "A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom." + "Phenotype that is any abnormality in the asymmetric distribution of components within a cell. For example an epithelial cell is 'cell polarity defective' if it lacks the normal asymmetric distribution of proteins or cell components such as junctions or villi along its apical-basal axis." + "A biosample that comprises the whole animal." + "0-40% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "An allele that has been shown by molecular evidence to make a gene product that is antagonistic to the function of the wild-type gene product at low temperatures but not higher temperatures." + "A chemosterilant intended to sterilize insects." + + "An allele shown by molecular evidence to produce a gene product with a novel function or expression pattern (compared to wild-type) at high temperatures but not lower temperatures." + "Any member of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises of vitamin B1, B2, B3, B5, B6, B7, B9, and B12 (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such)." "Wikipedia:B_vitamin MetaCyc:B-vitamins" + "The type of reagent collection as characterized by the material resources comprised by the collection." + "40-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "The RK1 rank describes mutants that are easily scored." + "An oxide is a chemical compound of oxygen with other chemical elements." + "Wikipedia:Mitomycin DrugBank:DB00305 LINCS:LSM-6310 KEGG:C06681 KEGG:D00208 KNApSAcK:C00018668" + "80% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "Phenotype that is a decrease in the total amount or frequency of sleep (GO:0030431) over a given time interval, compared to wild-type. 'sleep' is defined as: 'Any process in which an organism enters and maintains a periodic, readily reversible state of reduced awareness and metabolic activity. Usually accompanied by physical relaxation, the onset of sleep in humans and other mammals is marked by a change in the electrical activity of the brain.'" + "Publication in the Armenian language." + "A genome binding assay of some factor as characterized by chromatin immunoprecipitation (ChIP) of that factor and analysis of co-purifying DNA fragments using genome tiling array." + "Any alpha-amino acid having L-configuration at the alpha-carbon." "KEGG:C00151" + + + "An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution." "Wikipedia:Mutagen" + "Any abnormality in or loss of some anatomical structure or biological process compared to wild-type." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the plasma membrane." + + "The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group." + "A method that uses the Chromium platform from 10x Genomics to prepare and sequence a cDNA library." + "A sample that is derived from a population of cells undergoing cell cycle division in a synchronized manner." + "Treatment of an organism with a biological stimulus, such as an infectious or parasitic agent." + "Phenotype that is any abnormality in sensory perception of taste (GO:0050909). 'sensory perception of taste' is defined as: 'The series of events required for an organism to receive a gustatory stimulus, convert it to a molecular signal, and recognize and characterize the signal. Gustation involves the direct detection of chemical composition, usually through contact with chemoreceptor cells. This is a neurological process.'" + "Phenotype that is any abnormality in sensory perception of sound (GO:0007605). 'sensory perception of sound' is defined as: 'The series of events required for an organism to receive an auditory stimulus, convert it to a molecular signal, and recognize and characterize the signal. Sonic stimuli are detected in the form of vibrations and are processed to form a sound.'" + + "Chemical element with atomic number 53." "WebElements:I" + "The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes)." "KEGG:C00080" + + "A sample in which the individuals have undergone mating." + "Hadron is a subatomic particle which experiences the strong force." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property that can be used to inhibit the activity of a neuron, where this property can be regulated by binding to a small molecule, such as an ion or ligand." + "Any amino-acid that is not naturally encoded in the genetic code of any organism." "Wikipedia:Non-proteinogenic_amino_acids" + "Phenotype that is a change in the amount of cell death in a whole animal or in some specific organ tissue or clone of cells compared to wild-type. This may be due to effects on the regulation of cell death (GO:0010941) or in cell death (GO:0008219) pathways themselves." + "A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid." + "20-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Engineered sequence that forms all or part of a transgenic locus or modified endogenous locus and that has the property of a 'regulatory_region' (SO:0005836). 'regulatory_region' is defined as 'A region of sequence that is involved in the control of a biological process." + + + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of jump response (GO:0007630). 'jump response' is defined as: 'The sudden, usually upward, movement off the ground or other surface through sudden muscular effort in the legs, following exposure to an external stimulus.'." + "Genotype g1 is a non-enhancer of genotype g2 if (and only if) the phenotype due to the genotype g1g2 is not more severe than the sum of phenotypes due to g1 and g2, where all comparisons are under identical environmental conditions." + + "Expression in even, but not odd numbered segment of the blastoderm." + "An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria." + "A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription." "KEGG:D00027 PDBeChem:URA MetaCyc:URACIL DrugBank:DB03419 KEGG:C00106 Wikipedia:Uracil KNApSAcK:C00001513 HMDB:HMDB0000300" + + "Phenotype that is an increase in the efficacy of learning (GO:0007612), relative to controls. 'learning' is defined as: 'Any process in an organism in which a relatively long-lasting adaptive behavioral change occurs as the result of experience.'" + "Any saturated fatty acid anion lacking a carbon side-chain." + "The result of extensive sequence alignment and merging to produce a genome assembly that serves as the current reference for a particular organism." + "40-70% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Restricted to unknown subtype(s) of a specified type." + "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae (from CHEBI)." + "A cation consisting of more than one atom." + "A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups." + "Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae)." + "PDBeChem:FMT" + "Phenotype that is a decrease in the amount of cell death in a whole animal or in some specific organ tissue or clone of cells compared to wild-type." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the prepupal stage." + "Ribosome profiling, an assay in which mRNA fragments protected by ribosomes are isolated and characterized by high-throughput sequencing." + "Phenotype that is an increase in the efficacy of anesthesia-resistant memory (GO:0007615) relative to controls. 'anesthesia-resistant memory' is defined as: 'The memory process that results in the formation of consolidated memory resistant to disruption of the patterned activity of the brain, without requiring protein synthesis.'" + "Phenotype that is any abnormality in phototaxis (GO:0042331). 'phototaxis' is defined as: 'The directed movement of a motile cell or organism in response to light.'" + + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 424-467nm." + "Any organic ion with a net positive charge." + "A halogen molecular entity containing one or more atoms of chlorine." + "Any phenol that acts as an electron donor." "MetaCyc:Phenolic-Donors" + "An organochalcogen compound is a compound containing at least one carbon-chalcogen bond." + "Protein having well characterized fluorescence excitation and emission spectra, with an emission peak within the wavelength range of 559-572nm." + + + "A phenotype that is a reduction in the ability of males to produce fertilized eggs as a result of mating to below 50% of wild-type." + "Restricted to apical region of some specified type." + "Any compound that can disrupt the functions of the endocrine (hormone) system" "Wikipedia:Endocrine_disruptor" + "10% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "A method that uses Sanger sequencing for this assay." + "A collection of alleles that are available as fly stocks." + "A benzenediol comprising benzene core carrying two hydroxy substituents para to each other." "KEGG:D00073 KNApSAcK:C00002656 PPDB:1503 KEGG:C15603 KEGG:C00530 HMDB:HMDB0002434 MetaCyc:HYDROQUINONE Wikipedia:Hydroquinone" + + "Publication in the Lithuanian language." + "Parental effects describe the dependence of the expression of a phenotypic attribute of an allele on the parent from which that allele is inherited." + "An allele inferred from genetic evidence to make a normal gene product at increased levels or with increased activity compared to wild-type, where this increased amount or activity is present at low temperatures (non-permissive temperatures) but not higher temperatures (permissive temperatures), and where the genetic evidence consists of the observation that extra copies in the genome increase the expressivity and/or penetrance of the phenotype at the non-permissive temperatures." + "Compounds with the general formula RNHC(=O)CH3." + "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property used to ablate a specific cell or anatomical structure." + "An immunoglobulin molecule having a specific amino acid sequence that gives each antibody the ability to adhere to and interact with the antigen that induced its synthesis and with molecules containing structures similar to that antigen. An antigen is any substance capable of inducing a specific immune response, including but not limited to toxins, bacterial proteins and viruses." "XCO:0000194" + + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the activity of the tagged gene product being regulated in response to irradiation with a pulse of light." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of adult walking behavior (GO:0007628). 'adult walking behavior' is defined as: 'The behavior of an adult relating to the progression of that organism along the ground by the process of lifting and setting down each leg.'." + "A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant (from CHEBI)." + "A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and confers a specific, novel property that facilitates purification of the gene product and/or any associated macromolecular complex by an experimental method." + "A DNA polymerase inhibitor that interferes with the activity of reverse transcriptase, EC 2.7.7.49, a viral DNA polymerase enzyme that retroviruses need in order to reproduce." "Wikipedia:Reverse-transcriptase_inhibitor" + "A stock established from flies collected in the wild within the past 3 years." + + "Salts and esters of sulfuric acid" + "An optically active form of phenylalaninium having D-configuration." + "Any alpha-amino acid anion in which the parent amino acid has D-configuration." + "An allele that, at low temperatures but not higher temperatures, makes a gene product with normal function but at higher levels or with higher activity than in wild-type.." + "An ion of copper carrying a double positive charge." "PDBeChem:CU" + "Phenotype that is any abnormality in circadian rhythm (GO:0007623). 'circadian rhythm' is defined as: 'Any biological process in an organism that recurs with a regularity of approximately 24 hours.'" + "Any main group element atom belonging to the p-block of the periodic table." + + "A phenotypic effect which is not expressed in/limited to cells of the mutant genetic constitution under investigation is said to be cell non-autonomous." + "Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals." + + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of proboscis extension reflex (GO:0007637). 'proboscis extension reflex' is defined as: 'The extension, through direct muscle actions, of the proboscis (the trunk-like extension of the mouthparts on the adult external head) in response to a nutritional stimulus.'." + + "Phenotype only expressed in some subset of the temperature range within which wild-type animals are viable." + "Embryonic/larval segmentation phenotype that is the complete or partial loss of alternate segments or parasegments." + "Genotype g1 is a suppressor of variegation if, and only if, some genotype g2 has a variegated phenotype and the degree of variegation caused by g1g2 is less than that caused by to g2 alone." + "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position (from CHEBI)." + + "An allele that makes either increased amounts of a normal gene product or a gene product with normal function but increased activity compared to wild-type." + + "Any organic salt prepared using an organosulfonic acid as the acid component." + "A uridine having a bromo substituent at the 5-position (from CHEBI)." + "Phenotype that is an increase in the efficacy of memory (GO:0007613) relative to controls. 'memory' is defined as: 'The activities involved in the mental information processing system that receives (registers), modifies, stores, and retrieves informational stimuli. The main stages involved in the formation and retrieval of memory are encoding (processing of received information by acquisition), storage (building a permanent record of received information as a result of consolidation) and retrieval (calling back the stored information and use it in a suitable way to execute a given task).'" + "An inbred strain is subjected to artificial laboratory selection of some trait over the course of several generations." + "Qualifier that describes the spatial characteristics of a phenotype or expression pattern relative to the position of another entity." "PATO:0001631" + "Restricted to dorso-lateral region of some specified type." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which allows the tagged gene product to be cleaved (broken into smaller molecules by the rupture of a covalent bond) by a specific process." + "A sample in which a biological specimen has been separated into individual cells by using non-enzymatic chemicals." "EFO:0011026" + "Sequence that has a property that allows specific binding to another macromolecule, where this property can be regulated in response to a particular stimulus." + "Expressed in virgin females." + "Any fatty acid whose skeletal carbon atoms form an unbranched open chain." + "Position in the egg or pre-gastrula embryo expressed as a percentage of egg length, where 0% corresponds to the posterior tip and 100% to the anterior tip." + + "A member of the class of flavanones that consists of flavanone with one or more methoxy substituents." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of phototaxis (GO:0042331). 'phototaxis' is defined as: 'The directed movement of a motile cell or organism in response to light.'" + "Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals." + "Neuronal activity that has been perturbed using genetically controlled agents to activate or depress membrane potential." + "A unit of expression (reads per kilobase per million reads) in which high-throughput sequencing reads mapping to a given feature are normalized both to the size of that feature and to the total number of reads in the sample." + "Phenotype that is characterized by the formation of abnormal masses of tissue (tumors) as the result of neoplasia." + "A version of a scientific manuscript that is shared publicly on the web without peer review. In most cases, work posted as a preprint will be submitted for peer review at a journal." + "The biosample that is enriched for a specific biomolecule type for further processing." + "An assay of genomic sequence that generates a large number of random genomic sequences, typically derived from paired-end sequencing of genomic fragments, that together give a complete (albeit scrambled) representation of the entire genome." + "An allele that has been shown by molecular evidence to make a gene product that is antagonistic to the function of the wild-type gene product at high temperatures but not lower temperatures." + "A peptide sequence used to target a tagged protein for export from the nucleus to the cytoplasm." "SO:0001531" + "WebElements:S KEGG:C00087 KEGG:D06527 PPDB:605" + "A sample that contains a transfected agent which is not incorporated into the genome." + + "The isolation of small RNA species 17-35 nt in size." + + + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that confers a specific property used to ablate a specific cell or anatomical structure, where this property can be regulated in response to a particular stimulus." + "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the third instar larval stage." + "Phenotype that is any abnormality in memory (GO:0007613). 'memory' is defined as: 'The activities involved in the mental information processing system that receives (registers), modifies, stores, and retrieves informational stimuli. The main stages involved in the formation and retrieval of memory are encoding (processing of received information by acquisition), storage (building a permanent record of received information as a result of consolidation) and retrieval (calling back the stored information and use it in a suitable way to execute a given task).'" + "A phenotype of a population that is the death of the majority of animals in that population during the first instar larval stage." + "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en + "Any haloalkane that consists of an alkane substituted by at least one chloro group." + "Any substituent group which does not contain carbon." + "Material that is derived from the isolation of proteins." + + "Restricted to proximal region of some specified type." + + "30-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine." + + "Any polyatomic entity that is an electrically neutral entity consisting of more than one atom." + "Any molecular entity that contains carbon." + + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the second instar larval stage." + "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol (from CHEBI)." + + "A diagram that is designed to be touched, rather than looked at. These are generally made for use by blind or visually impaired people." + "Mutation induced by the mobilization of a transposable element." + "A molecular entity capable of accepting a hydron from a donor (Bronsted acid)." + + + "An ion consisting of more than one atom." + "A reagent with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between macromolecules, principally side chains of amino acids in proteins, allowing the locations of naturally reactive areas within the proteins to be identified." + "A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family." + "Embryonic/larval segmentation phenotype that is the complete loss of a contiguous stretch of 2 or more segments." + "No definition for CHEBI:37595." + + + "A sample that is maintained in conditions with a specific cycle that included exposure to both light and darkness." + + "An assay of 5'-capped transcripts using the orthogonal approaches of reverse transcriptase template-switching and cap-trapping, with subsequent characterization by high-throughput sequencing." + "Any sulfurous acid derivative that is a salt or an ester of sulfurous acid." "Wikipedia:Sulfite" + "Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin." "Wikipedia:Skin_whitening" + + "An aldehyde resulting from the formal oxidation of methanol (from CHEBI)." + "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom." "KEGG:C14422" + "Phenotype that is a decrease in the efficacy of anesthesia-resistant memory (GO:0007615) relative to controls. 'anesthesia-resistant memory' is defined as: 'The memory process that results in the formation of consolidated memory resistant to disruption of the patterned activity of the brain, without requiring protein synthesis.'" + "A project study design investigating the biological mechanisms responsible for the control or maintenance of circadian rhythm." + "A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass." "Wikipedia:Macromolecule" + "A sample in which a biological specimen has been separated into individual cells by applying mechanical forces." "EFO:0009129" + "A result that represents a set of RNA-RNA interactions for a given sample." + "The result of reconstruction of the genome achieved by aligning and merging smaller fragments." + "Non-functional fragment of a transcriptional activator ('driver') that can be used to reconstitute a functional transcription driver when brought together in vivo with a complementary split driver fragment, where the process that brings the complementary fragments together can be regulated in response to a particular stimulus." + "A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water." "Wikipedia:Mineral_acid" + "An assay that tests proteins pairwise for interaction by fusing each to separate, complementary domains of some protein, usually a transcription factor. Upon interaction, the proximity of the complementary domains generates reporter activity." + "An entity that has temporal parts and that happens, unfolds or develops through time."@en + "Phenotype that is a decrease in the total amount or frequency of feeding behavior (GO:0007631) over a given time interval, compared to wild-type. 'feeding behavior' is defined as: 'Behavior associated with the intake of food.'" + "An enhancer trap cassette is designed to report or utilize the expression of endogenous enhancer elements upon integration of the cassette into the genome. The basic components of an enhancer trap cassette are a minimal promoter element fused upstream of a gene. Upon integration into the genome, a neighboring genomic enhancer may activate expression of the gene encoded by the enhancer trap cassette. Depending on the nature of this gene, the insertion may directly report the expression pattern of the 'trapped' enhancer (e.g. if the gene encodes a reporter enzyme or fluorescent protein), or it may be used to drive expression of any gene of interest (e.g. if the gene encodes a driver that forms part of a binary expression system). An enhancer trap cassette may be inserted into a genome as part of a transgenic construct via transposable-element-mediated transgenesis, or may be inserted directly into a modified endogenous locus via a genome engineering method such as homologous recombination or CRISPR. An enhancer trap insertion can be mutagenic, disrupting the function of an endogenous locus, depending on the particular insertion site." "SO:0001479" + "An assay that identifies the molecules that interact with a particular bait factor by mass spectrometry." + "Any agent that affects the transport of molecular entities across a biological membrane." + "Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms." + + "No definition for CHEBI:23705." + "10-40% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + + "A phenotype of a population that is the death of some significant proportion of animals in that population prior to becoming a mature adult, where mature is defined as after adult stage A3 (FBdv:00006012)." + "Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation." + "An allele that, is inferred to make a gene product with a novel function or expression pattern compared to wild-type at some temperatures (non-permissive temperatures) but not others (permissive temperatures) based on the evidence that the phenotype at the non-permissive temperature is unaffected by extra or fewer doses of the wild-type gene." + "Sequence that forms all or part of a transgenic locus or modified endogenous locus and which can be used to an modify an organism's genetic material in a defined manner. Genome engineering can occur on many levels, ranging from targeting of an individual gene with a small modification through to the engineering of chromosomal rearrangements. In addition to the manipulation of endogenous loci, genome engineering can also be used to introduce exogenous material into the genome, and to manipulate such exogenous material already introduced the genome." + "Any chemical (FBcv:0000525) that has role some alkylating agent (CHEBI:22333)." + "An analysis that results in the identification of discrete A-to-I RNA editing sites." + "An ether in which the oxygen atom is linked to two ethyl groups (from CHEBI)." + + "Any sulfur molecular entity that involves either covalently bonded or anionic sulfur." + "Publication in the Turkish language." + "An allele that, at some temperatures but not others, makes a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + "A member of the class of flavanones having one or more glycosyl residues attached at unspecified positions." + "A class of imidazopyrimidines that consists of purine and its substituted derivatives." + "KEGG:C00070 WebElements:Cu" + "A molecule that can substitute for a normal nucleobase in nucleic acids (from CHEBI)." + "An allele shown by molecular evidence to make a normal gene product in normal amounts at some temperatures, but at other temperatures to make a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + "A molecular entity all atoms of which have the same atomic number." + "Phenotype that is a decrease in any kind of rate (e.g. speed, frequency) of adult walking behavior (GO:0007628). 'adult walking behavior' is defined as: 'The behavior of an adult relating to the progression of that organism along the ground by the process of lifting and setting down each leg.'." + "An allele that, at some high temperatures but not lower temperatures, makes a gene product with a novel function or expression pattern compared to wild-type." + "Growth conditions and treatments used to culture the organism prior to biosample isolation." + + "Genes or gene products that are acknowledged to form a natural biological group." + "Qualifier that describes an observable phenotype." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of courtship behavior (GO:0007619). 'courtship behavior' is defined as: 'The behavior of an organism for the purpose of attracting sexual partners.'." + + "No definition for CHEBI:22025." + "A nucleobase whose skeleton is derived from purine." "KEGG:C15587" + "Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds." + "A bicyclic compound in which all the ring atoms are carbon." + "A phenotypic attribute is described as recessive when it is manifest only in individuals homozygous or hemizygous for the allele that causes that phenotype." + "A method for quantifying the transcriptome of individual cells, in which transcripts isolated from single cells are subjected to high-throughput sequencing and mapping to a reference genome." "EFO:0008913 OBI:0002631" + "Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms." + "An analysis that results in the identification of discrete exon junctions." + "An ester of an alcohol and sulfuric acid." + "Phenotype that is any abnormality in feeding behavior (GO:0007631). 'feeding behavior' is defined as: 'Behavior associated with the intake of food.'" + "An antibody whose domain architecture has been engineered in vitro. An engineered antibody typically contains only a subset of the domains found in a naturally occurring antibody. In some cases, domains that are normally found in different chains of a naturally occurring antibody are synthesized as a single fusion protein." + "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation." "LINCS:LSM-5355 FooDB:FDB014504 Chemspider:5815 KEGG:C00504 KNApSAcK:C00001539 Wikipedia:Folic_Acid PDBeChem:FOL HMDB:HMDB0000121 MetaCyc:CPD-12826 KEGG:D00070 DrugBank:DB00158" + + "A phenotype of a population that is the death of all animals in that population at some stage or stages before the end of the first instar larval stage." + "10-20% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "20-90% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "No definition for CHEBI:35807." + "A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia." "LINCS:LSM-2645 KEGG:D00266 DrugBank:DB00291 Wikipedia:Chlorambucil PDBeChem:CBL" + "Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi." + "0-60% of egg length from the posterior tip of the egg or pre-gastrula embryo." + "An onium cation obtained by protonation of ammonia." "Wikipedia:Ammonium PDBeChem:NH4 MolBase:929 MetaCyc:AMMONIUM KEGG:C01342" + "Work consisting of a structured file of information or a set of logically related data stored and retrieved using computer-based means." "MeSH:D019991" + "A substance used to treat or prevent parasitic infections." "Wikipedia:Antiparasitic" + + "Any anion arising from deprotonation of at least one OH group in a flavonoid compound." + "Strong expression." "PATO:0000049" + + + "The type of project as characterized its data content." + "Sequence change caused by the cleavage of a 19-24 bp palindromic DNA site by the I-CreI endonuclease." + "Expression pattern that is constant throughout the assayed anatomical entity." "PATO:0000438" + "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." "KEGG:C16487" + + "A result of Ribo-seq analysis that profiles ribosome protected sequences along the genome." + "Sequence that forms part of the gene product encoded by a transgenic locus or modified endogenous locus and which results in the tagged gene product being targeted for degradation, where this property can be regulated by a small molecule." + "Phenotype that is any abnormality in the shape (PATO:0000052) of some cell compared to wild-type." + "Expression is limited to males by virtue of the particular biology of males, rather than the sex-linkage of the gene(s) involved." + + "Phenotype that is a decrease in the number of gametes produced." + "Phenotype that is any abnormality in sensory perception of light stimulus (GO:0050953). 'sensory perception of light stimulus' is defined as: 'The series of events required for an organism to receive a sensory light stimulus, convert it to a molecular signal, and recognize and characterize the signal. This is a neurological process.'" + + "The 3H-tautomer of purine." + "A phenotype of a population that is the death of a majority of animals in that population prior to becoming a mature adult, where mature is defined as after adult stage A3 (FBdv:00006012)." + "A sample that has undergone a disruption to the activity of one of its genes." + + "A sample that is derived from a population of cells undergoing a log phase of division." + "Compounds containing one or more phosphoric acid units." + "Mutation induced by exposure to alpha rays." + "30-60% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A chloroalkane that is ethane in which one or more of the hydrogens is replaced by chlorine." + "Hydroxy boron compounds of general formula BxOyHz." + + "A sample in which the individuals have not undergone mating." + "An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens." "MetaCyc:Alkanesulfonates KEGG:C15521" + "A dicarboxylic acid dianion that is the conjugate base of glutamate(1-)." + "An allele that either makes a normally functioning gene product but at higher levels or in a different spatial or temporal pattern to wild-type, or a product with increased or novel activity compared to wild-type." + "Publication in the Estonian language." + "The conditioned medium containing factors secreted by cultured cells that has been isolated." + "A phenotype of female sterility due to defects in somatic cells of the ovary (FBbt:00006030), or of the products of these cells (such as eggshell)." + "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee." "LINCS:LSM-2026 MetaCyc:1-3-7-TRIMETHYLXANTHINE KEGG:C07481 PDBeChem:CFF Wikipedia:Caffeine KNApSAcK:C00001492 KEGG:D00528 DrugBank:DB00201 HMDB:HMDB0001847" + "A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom." + + "A sample in which specific cells within a tissue have been ablated by some method, such as targeted expression of a cell toxin, or laser ablation of fluorescently marked cells." + "A record of a nucleotide or protein sequence in some standard format." + "Cell autonomy statements describe the cellular focus of mutant phenotype, generally revealed by genetic mosaic analysis, in terms of whether the mutant has its phenotypic effect limited to, or not limited to, cells of the mutant genotype." + + "An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*)." + "A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid." "KEGG:C00059 HMDB:HMDB0001448 MetaCyc:SULFATE PDBeChem:SO4 KEGG:D05963 Wikipedia:Sulfate" + "Compounds based on a triazine skeleton." + "No definition for CHEBI:27292." + "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention." "KEGG:C19164 Wikipedia:Sulfur_mustard" + "A clone of germline cells that share a genotype." + + "A project that characterizes the set of inter-molecular interactions in an organism." + "Biologically active substance whose activity affects or plays a role in the functioning of the immune system." "Wikipedia:Immunotherapy" + "Genes whose products share a common biological and/or molecular function." + "DNA change introduced by using an in vitro construct. The sequence of the in vitro construct determines the type of change." + "Mutation found in a natural population." + "Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons." + "KEGG:C00572" + "A phenotype of a population that is the death of all animals in that population during the embryonic stage." + "An EC 5.99.* (other isomerases) inhibitor that interferes with the activity of any enzyme in the EC 5.99.1.* class." + "A phenotype due to genotype g1 is suppressible by genotype g2 if the if the phenotype due to the genotype g1g2 is less severe than that due to g1 alone." + "A phenotype consisting of an decrease in any kind of rate (e.g. speed, frequency) of `multicellular organismal movement` (GO:0050879) compared to wild-type." + "A phenotype of a population that is the death of the majority of animals in that population during the pharate adult stage." + + + "Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy)." + "An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group" "MetaCyc:D-GLT" + "An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms." + + "A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom." + "Any isotopically modified compound that has one or more hydrogens replaced by tritium." + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the nucleus, where this property can be regulated by irradiation with a pulse of light." + "A list of Drosophila stocks kept by a specified stock center or research group." + "Repressor that can be used to regulate expression in a binary expression system. This system requires a transactivator ('driver') that binds to a specific DNA sequence ('regulatory region' or 'effector'). A driver encoded by one transgenic locus or modified endogenous locus is used to drive expression of a downstream 'responder' or 'reporter' encoded by another transgenic locus or modified endogenous locus, by fusing the regulatory region sequence to which the driver binds upstream of the responder sequence. The temporal and spatial expression pattern of the responder thus depends on the regulatory elements used to drive expression of the driver. In addition, a specific repressor protein may be available which prevents the transactivator from driving expression, allowing further refinement of the expression pattern of the responder." + "A project that characterizes the set of proteins expressed in an organism." + "Analysis of raw data generated by an assay(s) that makes some conclusion." + "Phenotype that is any abnormality in chemosensory behavior (GO:0007635). 'chemosensory behavior' is defined as: 'Behavior that is dependent upon the sensation of chemicals.'." + "Qualifier that describes an electrophoretic migration of a gene product that is slower than the wild-type." "PATO:0000304" + "Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives." "MetaCyc:FLAVANONES Wikipedia:Flavanone" + "A recognition site for a protease, an enzyme that catalyzes hydrolysis of a peptide bond." + "Zwitterionic form of any peptide where, in general, the amino terminus is positively charged and the carboxy terminus is negatively charged." + + "A genome binding assay of some protein as characterized by creating a fusion to DNA adenine methyltransferase and analysis of methylated DNA sequences by genome tiling array." + "An allele that, is inferred to make a gene product with a novel function or expression pattern compared to wild-type at some high temperatures (non-permissive temperatures) but not lower temperatures (permissive temperatures), based on the evidence that the phenotype at the non-permissive temperature is unaffected by extra or fewer doses of the wild-type gene." + "A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom." "PPDB:606 KEGG:D05963 KEGG:C00059 MolBase:4 Wikipedia:Sulfuric_acid KNApSAcK:C00007530" + "A metal sulfate compound having copper(2+) as the metal ion (from CHEBI)." + "When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue." + "A phenotype that is the ability to produce fertilized eggs as a result of mating." + + "High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms." "KEGG:C00039" + + "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings." "Wikipedia:Benzo(a)pyrene KEGG:C07535 LINCS:LSM-2198" + "A phenotype of a population that is the death of all animals in that population at some stage or stages prior to becoming a mature adult, where mature is defined as after adult stage A3 (FBdv:00006012)." + "Sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which allows the tagged protein product to be cleaved (broken into smaller molecules by the rupture of a covalent bond) by a specific process that can be regulated by binding to a small molecule, such as an ion or ligand." + "Sulfate salts where the cation is a metal ion." + "Publication in the Swedish language." + + "A phenotype exhibited following mechanical shock and consisting of a brief period of intense, uncoordinated motor activity (legs and wings flailing, abdomen coiling) followed by a prolonged period of paralysis." + + "An allele that makes a gene product that is antagonistic to the function of the wild-type gene product at high temperatures, but not at lower temperatures." + "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2." "MetaCyc:12-DICHLOROETHANE PPDB:2774 KEGG:C06752 PDBeChem:DCE Wikipedia:1,2-Dichloroethane HMDB:HMDB0029571 DrugBank:DB03733" + "A record of a DNA or RNA sequence in some standard format, such as GenBank or EMBL or DDBJ." + "Any ether in which the oxygen is attached to at least one aryl substituent." + + "50-60% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "A work consisting of written or printed communication between individuals or between persons and representatives of corporate bodies. The correspondence may be personal or professional." "MeSH:D016422" + "A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors." "Wikipedia:Receptor_modulator" + "No definition for CHEBI:19024." + "An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid." + "An assay that uses a panel of RNA interference (RNAi) reagents to systematically knockdown a large set of genes, one at a time, to identify those that are involved in some biological process." + "A result that is produced from the detailed examination of data to come to some conclusion." + "A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction." + + "A protein that can be switched from an essentially non-fluorescent state to a fluorescent state by irradiation with a pulse of light of a specific wavelength. This activation is irreversible." + "A recognition site for an integrase, an enzyme that mediates an exchange reaction between two DNA templates, resulting in integration of DNA from one of the templates into the other. An integrase binds a pair of compatible recognition sites (typically called attP and attB) which each contain a short integration core flanked by imperfect inverted repeats that are not identical. Exchange between the attP/attB pair results in the formation of hybrid sites (typically called attL and attR) that are no longer a substrate of the integrase. Thus the exchange reaction driven by an integrase is unidirectional. Mutually exclusive pairs of recognition site have been engineered for some integrases. Integrases can be used to generate many different types of genetic modification, with the outcome being influenced by the relative orientation (direct or inverted), relative location and composition of the two recognition sites. The types of possible modification include deletion of DNA, generation of chromosomal rearrangements, integration of DNA into the genome, and replacement of genetic material with that from a donor plasmid using recombination-mediated cassette exchange (RMCE)." + "A molecular entity capable of donating a hydron to an acceptor (Bronsted base)." + "A liquid that can dissolve other substances (solutes) without any change in their chemical composition." "Wikipedia:Solvent" + "Term that describes the type of allele." + "An allele inferred from genetic evidence to have normal activity at high temperatures (permissive temperatures) but to make a gene product with normal function but in a lesser amount or with lowered activity at lower temperatures (non-permissive temperatures). The genetic evidence must consist of an observation extra copies in the genome decrease the expressivity and/or penetrance of the phenotype at non-permissive temperatures. Most commonly this evidence takes the form of experiments showing that the homozygote (2 copies) has a weaker phenotype at non-permissive temperatures than the allele in trans to a deletion of the gene (1 copy))." + + "An allele inferred from genetic evidence to make a normal gene product at increased levels or with increased activity compared to wild-type, where this increased amount or activity is present at high temperatures (non-permissive temperatures) but not lower temperatures (permissive temperatures), and where the genetic evidence consists of the observation that extra copies in the genome increase the expressivity and/or penetrance of the phenotype at the non-permissive temperatures." + "The published records of the papers delivered at or issued on the occasion of individual congresses, symposia, and meetings; abstracts of papers delivered at such congresses; reports of the officers and delegates of such congresses; combinations of the foregoing; or proceedings of the conference of a society if they are not limited to matters of internal organization." "MeSH:D016423" + "Any cyclic ether in which the oxygen atom forms part of a 3-membered ring." "Wikipedia:Epoxide KEGG:C00722" + "A D-alpha-amino acid zwitterion that is D-phenylalanine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3." "MetaCyc:CPD-216" + "A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents." + "A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid." + "A result that represents the range of phenotypes obtained for a set of genetic perturbations." + "Material that has been selected using Chromatin Immunoprecipitation, or ChIP." + "An allele that completely lacks function (i.e. whose gene productive is completely inactive) at some temperatures, but not others." + "No definition for CHEBI:24565." + "KEGG:C00007 WebElements:O" + + "A monoatomic or polyatomic species having one or more elementary charges of the proton." "KEGG:C01373" + "A phenotype that is the ability of males to produce fertilized eggs as a result of mating." + "A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease." + "Mutation caused by the mobilization of a P-element by the transposase produced from the helper plasmid p pi25.1. This plasmid is a P-element from which the 3' terminus has been deleted, making it unable to integrate into the host's DNA. It is missing a 23 base pairs deletion of the 3' terminus compared to p pi25.1wc." + + "Isolation of RNA-protein complexes." + "Publication in the Finnish language." + "The type of assay as characterized by its data content." + "A genome binding assay of some factor as characterized by chromatin immunoprecipitation (ChIP) of that factor and high-throughput sequencing of co-purifying DNA fragments." + "A single cell type that has been isolated by affinity purification or fluorescent cell sorting." + "A phenotype of a population that is the death of some significant proportion of animals in that population, but less that half, prior to becoming a mature adult, where mature is defined as after adult stage A3 (FBdv:00006012)." + + "KEGG:C01785" + "Thymidine linked to the radioisotope tritium. Used to label DNA in the study of cellular and viral DNA synthesis." + + + "20-100% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill." + "An organosulfur compound is a compound containing at least one carbon-sulfur bond." "Wikipedia:Organosulfur_compounds" + + + + + "Expression pattern which varies in intensity following a gradient in the dorsal-ventral axis." + + "An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-serine/threonine kinase (EC 2.7.11.*)." + "20-50% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Any inorganic anion with a valency of two." + "Material that is derived from isolation of the total RNA." + + "Any minor or unwanted substance introduced into the environment that can have undesired effects." + "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and that is used to provide a readout of the activity of a specific biological process." + "A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer)." + "An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included." "Wikipedia:Metalloid" + "Phenotype that is any abnormality in courtship behavior (GO:0007619). 'courtship behavior' is defined as: 'The behavior of an organism for the purpose of attracting sexual partners.'" + "A xenobiotic (Greek, xenos \"foreign\"; bios \"life\") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means." "KEGG:C06708 Wikipedia:Xenobiotic" + + "Mutation induced by exposure to natural gas." + + "Phenotype that is any abnormality in or loss of a stereotypical behavioral response to touch." + "Any methoxyflavanone having a methoxy substituent located at position 4'." + + + + "No definition for CHEBI:25816." + "Non-fluorescent fragment of a fluorescent protein. A functional fluorophore can be reconstituted if a split fluorescent protein fragment is expressed with a complementary split fluorescent protein fragment and the fragments are brought together in vivo, permitting the study of biological interactions. Protein-protein interactions can be studied using the bimolecular fluorescence complementation (BiFC) technique, where a fluorescent protein is reconstituted if the two complementary split fluorescent protein fragments are fused to interacting proteins or protein domains that bring the split halves together into the same macromolecular complex. Associations between closely apposed cells can be studied if the two complementary split fluorescent protein fragments are tethered to the surface of these cells, for example to study connectivity in the nervous system using the GFP Reconstitution Across Synaptic Partners (GRASP) technique." + + "An article describing exercises or practicals suitable for teaching." + "A phenotype of a population that is the death of a significant proportion of animals in that population during the pupal stage." + "The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene." "MetaCyc:P-BENZOQUINONE PDBeChem:PLQ HMDB:HMDB0003364 KEGG:C00472 KEGG:C15602 Wikipedia:1,4-Benzoquinone" + "No definition for CHEBI:19579." + "Sequence change caused by a recombination event between tandem repeats of rRNA genes that causes unequal chromatid exchange at crossing over and an increase in the number of functional copies. It causes a reversion from mutant to wild-type phenotype." + + "A clone of somatic cells that share a mutant genotype that includes being Minute +/+ and that is part of and derived from an animal with a different genotype that includes being Minute +/-." + "A sample that has been dissected from the tissue of a more complete organism." + + "A peptide sequence that forms part of the protein product encoded by a transgenic locus or modified endogenous locus and which is used to target the tagged protein to the centrosome." + "A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of jump response (GO:0007630). 'jump response' is defined as: 'The sudden, usually upward, movement off the ground or other surface through sudden muscular effort in the legs, following exposure to an external stimulus.'." + "An ether in which the oxygen atom is linked to two ethyl groups." "KEGG:C13240 KEGG:D01772 Wikipedia:Diethyl_ether" + "70-80% of egg length from the posterior tip (0%) of the egg or pre-gastrula embryo." + "Phenotype that is any abnormality in copulation (GO:0007620). 'copulation' is defined as: 'The act of sexual union between male and female, involving the transfer of sperm.'" + "An allele shown by molecular evidence to make a gene product that is functionally equivalent to wild-type but in a lesser amount or with lowered activity." + + "An assay that maps nucleosome positions by using micrococcal nuclease to cleave linker DNA with the subsequent isolation of mononucleosomal DNA fragments that are characterized by high-throughput sequencing." + "A biosample containing dissociated cell nuclei isolated from the organism." + "Any inorganic anion that is formally derived from boric acid. The term includes polymeric anions containing chains of BO3 structural units sharing one oxygen atom (e.g. di-, tri-, and tetraborates) as well as chains or rings sharing two oxygen atoms (e.g. metaborates)." "Wikipedia:Borate" + + "Phenotype that is an increase or decrease in the number of cells in a whole animal or in some specific organ, tissue or clone of cells compared to wild-type. This phenotype is not necessarily accompanied by defects in cell growth - there may be a greater or lesser number of cells in an otherwise normal volume of tissue." + "Qualifier that describes aspects of genetic models of disease." + "Phenotype that is an increase in any kind of rate (e.g. speed, frequency) of flight behavior (GO:0007629). 'flight behavior' is defined as: 'The response to external or internal stimuli that results in the locomotory process of flight. Flight is the self-propelled movement of an organism through the air.'." + "A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect." + "An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of alkaline phosphatase (EC 3.1.3.1)." "Wikipedia:Alkaline_phosphatase" + "An amino-acid anion obtained by deprotonation of any alpha-amino acid." + "An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of any phosphoric monoester hydrolase (EC 3.1.3.*)." + + "A biosample derived from an environmental sample for which the species content is unknown." + "A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase." "PDBeChem:THM HMDB:HMDB0000273 MetaCyc:THYMIDINE KEGG:C00214 DrugBank:DB04485 Wikipedia:Thymidine KNApSAcK:C00019698" + "An organic molecular entity containing a single carbon atom (C1)." + + + "A biosample consisting of cells isolated from animal tissue that have acquired the ability to proliferate indefinitely." + "A project that characterizes the set of transcribed RNA sequences expressed by the genome." + "Expressed in males." diff --git a/src/ontology/reports/chado_load_check_simple.txt b/src/ontology/reports/chado_load_check_simple.txt index 92e6f7f..c9722ee 100644 --- a/src/ontology/reports/chado_load_check_simple.txt +++ b/src/ontology/reports/chado_load_check_simple.txt @@ -1,3 +1,3 @@ -FBcv:0000680 ! abnormal proboscis extension reflex has unnapproved def_dbxref type: FB:FBrf0044924 FBcv:0007533 ! increased rate of proboscis extension reflex has unnapproved def_dbxref type: FB:FBrf0044924 FBcv:0007545 ! decreased rate of proboscis extension reflex has unnapproved def_dbxref type: FB:FBrf0044924 +FBcv:0000680 ! abnormal proboscis extension reflex has unnapproved def_dbxref type: FB:FBrf0044924 diff --git a/src/ontology/reports/edges.tsv b/src/ontology/reports/edges.tsv new file mode 100644 index 0000000..a73f11f --- /dev/null +++ b/src/ontology/reports/edges.tsv @@ -0,0 +1,3293 @@ +?x ?p ?y + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/ontology/reports/obo_track_new_simple.txt b/src/ontology/reports/obo_track_new_simple.txt index e69de29..e72d8ea 100644 --- a/src/ontology/reports/obo_track_new_simple.txt +++ b/src/ontology/reports/obo_track_new_simple.txt @@ -0,0 +1,13 @@ +in vitro construct - minigene ; FBcv:0000461 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +gene product degradation tag ; FBcv:0005042 has changed name to degradation tag. The old name is a synonym. +small molecule-regulated gene product degradation tag ; FBcv:0005083 has changed name to small molecule-regulated degradation tag. The old name is a synonym. +in vitro construct - amino acid replacement ; FBcv:0000462 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +in vitro construct - regulatory fusion ; FBcv:0000456 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +in vitro construct - site directed mutagenesis ; FBcv:0000458 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +in vitro construct - coding region fusion ; FBcv:0000457 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +conditional gene product degradation tag ; FBcv:0009016 has changed name to conditional degradation tag. The old name is a synonym. +light-regulated gene product degradation tag ; FBcv:0007047 has changed name to light-regulated degradation tag. The old name is a synonym. +in vitro construct - RNAi ; FBcv:0000463 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +in vitro construct - deletion ; FBcv:0000459 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 +cell cycle-regulated gene product degradation tag ; FBcv:0005043 has changed name to cell cycle-regulated degradation tag. The old name is a synonym. +in vitro construct - genomic fragment ; FBcv:0000460 has been made obsolete. Suggested alternative term(s): in vitro construct ; FBcv:0000455 diff --git a/src/ontology/reports/obsoletes.tsv b/src/ontology/reports/obsoletes.tsv new file mode 100644 index 0000000..9d983ec --- /dev/null +++ b/src/ontology/reports/obsoletes.tsv @@ -0,0 +1,204 @@ +?cls ?replCls ?consCls + + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000176" + "FBcv:0000176" + "FBcv:0000176" + "FBcv:0000176" + + + + + + + + + + + + + + + + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + "FBcv:0000052" + + + + "FBcv:0000052" + "FBcv:0000052" + + + + + + + + + + + + + + + + + "FBcv:0000176" + + + "FBcv:0000176" + "FBcv:0000176" + "FBcv:0000176" + "FBcv:0000176" + + + + + + + + + + + + + + "FBcv:0000229" + + + + + + + + + + + + + + + "FBcv:0000176" + + + "FBcv:0000811" + "FBcv:0000811" + "FBcv:0000436" + "FBcv:0000723" + + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + "FBcv:0000455" + + + "FBcv:0000525" + + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + "FBcv:0000807" + + + + + + + + + + + + + + + + + + + + + + + + + + + + "FBcv:0000199" + + + + + + + + + + + "FBcv:0000199" + + + + + + + + + + + "FBcv:0002033" + "FBcv:0000212" + "FBcv:0005055" + "FBcv:0009028" + "FBcv:0005055" + "FBcv:0009029" + "FBcv:0005055" + "FBcv:0009030" + "FBcv:0005054" + "FBcv:0009028" + "FBcv:0005054" + "FBcv:0009029" + "FBcv:0005054" + "FBcv:0009030" + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/src/ontology/reports/robot_simple_diff.txt b/src/ontology/reports/robot_simple_diff.txt index 4bb27b7..d1e414f 100644 --- a/src/ontology/reports/robot_simple_diff.txt +++ b/src/ontology/reports/robot_simple_diff.txt @@ -1,189 +1,118 @@ -104 axioms in left ontology but not in right ontology: -- Annotation( "23:02:2024 09:19"^^xsd:string) -- Annotation(owl:versionInfo "2024-02-23"^^xsd:string) -- AnnotationAssertion( ) -- AnnotationAssertion( ) -- AnnotationAssertion( ) -- AnnotationAssertion( ) -- AnnotationAssertion( ) -- AnnotationAssertion( ) -- AnnotationAssertion( "2022-05-04T14:32:02Z"^^xsd:dateTime) -- AnnotationAssertion( "2022-05-04T14:33:41Z"^^xsd:dateTime) -- AnnotationAssertion( "2022-05-04T14:34:38Z"^^xsd:dateTime) -- AnnotationAssertion( "2022-05-04T14:35:30Z"^^xsd:dateTime) -- AnnotationAssertion( "2022-05-04T14:37:56Z"^^xsd:dateTime) -- AnnotationAssertion( "2022-05-04T14:38:38Z"^^xsd:dateTime) -- AnnotationAssertion( "FBcv:0005054"^^xsd:string) -- AnnotationAssertion( "result_type"^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:13941"^^xsd:string) "No definition for CHEBI:13941."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:16842"^^xsd:string) "An aldehyde resulting from the formal oxidation of methanol (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:16991"^^xsd:string) "High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:17967"^^xsd:string) "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:19024"^^xsd:string) "No definition for CHEBI:19024."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:19032"^^xsd:string) "A haloalkane that is bromoethane substituted by chlorine at position 2 (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:19363"^^xsd:string) "A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:19508"^^xsd:string) "No definition for CHEBI:19508."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:19579"^^xsd:string) "No definition for CHEBI:19579."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:20552"^^xsd:string) "A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:20553"^^xsd:string) "A uridine having a bromo substituent at the 5-position (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:20787"^^xsd:string) "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:21183"^^xsd:string) "No definition for CHEBI:21183."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:21184"^^xsd:string) "No definition for CHEBI:21184."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:21759"^^xsd:string) "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:22025"^^xsd:string) "No definition for CHEBI:22025."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:22526"^^xsd:string) "No definition for CHEBI:22526."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23359"^^xsd:string) "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23414"^^xsd:string) "A metal sulfate compound having copper(2+) as the metal ion (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23704"^^xsd:string) "No definition for CHEBI:23704."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23705"^^xsd:string) "No definition for CHEBI:23705."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23994"^^xsd:string) "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:23995"^^xsd:string) "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24431"^^xsd:string) "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24564"^^xsd:string) "No definition for CHEBI:24564."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24565"^^xsd:string) "No definition for CHEBI:24565."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24624"^^xsd:string) "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24835"^^xsd:string) "A molecular entity that contains no carbon (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:24859"^^xsd:string) "Chemical element with atomic number 53 (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25234"^^xsd:string) "No definition for CHEBI:25234."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25255"^^xsd:string) "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25434"^^xsd:string) "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25813"^^xsd:string) "No definition for CHEBI:25813."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25814"^^xsd:string) "No definition for CHEBI:25814."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25816"^^xsd:string) "No definition for CHEBI:25816."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25818"^^xsd:string) "No definition for CHEBI:25818."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:25829"^^xsd:string) "No definition for CHEBI:25829."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:26491"^^xsd:string) "No definition for CHEBI:26491."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:26709"^^xsd:string) "An inorganic sodium salt having hydrogensulfite as the counterion (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:26800"^^xsd:string) "No definition for CHEBI:26800."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27090"^^xsd:string) "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27292"^^xsd:string) "No definition for CHEBI:27292."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27504"^^xsd:string) "No definition for CHEBI:27504."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27561"^^xsd:string) "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27666"^^xsd:string) "No definition for CHEBI:27666."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27732"^^xsd:string) "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27789"^^xsd:string) "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2 (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27899"^^xsd:string) "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups) (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:27919"^^xsd:string) "No definition for CHEBI:27919."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28262"^^xsd:string) "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28534"^^xsd:string) "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28741"^^xsd:string) "A metal fluoride salt with a Na(+) counterion (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28775"^^xsd:string) "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28830"^^xsd:string) "A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28876"^^xsd:string) "A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28901"^^xsd:string) "A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:28954"^^xsd:string) "No definition for CHEBI:28954."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:29238"^^xsd:string) "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third) (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:29865"^^xsd:string) "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:30969"^^xsd:string) "No definition for CHEBI:30969."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:33118"^^xsd:string) "No definition for CHEBI:33118."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:34699"^^xsd:string) "The diethyl ester of sulfuric acid (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:34873"^^xsd:string) "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:35299"^^xsd:string) "No definition for CHEBI:35299."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:35702"^^xsd:string) "An ether in which the oxygen atom is linked to two ethyl groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:35807"^^xsd:string) "No definition for CHEBI:35807."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:37595"^^xsd:string) "No definition for CHEBI:37595."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:37598"^^xsd:string) "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:37972"^^xsd:string) "The radioactive isotope of phosphorus with relative atomic mass 31.973907 and half-life of 14.26 days (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:46790"^^xsd:string) "A hydroxyether that is ethanol substituted by a methoxy group at position 2 (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:50102"^^xsd:string) "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:51052"^^xsd:string) "A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:53526"^^xsd:string) "Thymidine linked to the radioisotope tritium. Used to label DNA in the study of cellular and viral DNA synthesis (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:67107"^^xsd:string) "A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "CHEBI:67142"^^xsd:string) "A molecule that can substitute for a normal nucleobase in nucleic acids (from CHEBI)."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by a particular stimulus. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate stimulus is applied."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by irradiation with a pulse of light. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate light stimulus is applied."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a transcription activation domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by binding to a small molecule, such as an ion or ligand. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a DNA-binding domain fused to the complementary heterodimerization domain and the appropriate small molecule stimulus is applied."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by a particular stimulus. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate stimulus is applied."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by irradiation with a pulse of light. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate light stimulus is applied."^^xsd:string) -- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence encoding a site-specific DNA-binding domain fused to a heterodimerization domain, where the process of heterodimerization mediated by this domain can be regulated by binding to a small molecule, such as an ion or ligand. A functional transcription driver can be reconstituted in vivo if this split system component is brought together with a split system component that encodes a transcription activation domain fused to the complementary heterodimerization domain and the appropriate small molecule stimulus is applied."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- AnnotationAssertion(rdfs:comment "Obsoleted in favor of terms that do not conflate the type of the fragment with the type of conditional regulation."^^xsd:string) -- OntologyID(OntologyIRI() VersionIRI()) +88 axioms in left ontology but not in right ontology: +- Annotation( "25:04:2024 15:03"^^xsd:string) +- Annotation(owl:versionInfo "2024-04-25"^^xsd:string) +- AnnotationAssertion( ) +- AnnotationAssertion( ) +- AnnotationAssertion( ) +- AnnotationAssertion( ) +- AnnotationAssertion( ) +- AnnotationAssertion( "2024-03-15T11:24:40Z"^^xsd:dateTime) +- AnnotationAssertion( "2024-03-15T11:25:37Z"^^xsd:dateTime) +- AnnotationAssertion( "2024-04-12T10:15:59Z"^^xsd:dateTime) +- AnnotationAssertion( "2024-04-12T10:18:38Z"^^xsd:dateTime) +- AnnotationAssertion( "2024-04-16T15:24:59Z"^^xsd:dateTime) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "FBcv:0000455"^^xsd:string) +- AnnotationAssertion( "gene product degradation tag"^^xsd:string) +- AnnotationAssertion( "cell cycle-regulated gene product degradation tag"^^xsd:string) +- AnnotationAssertion( "small molecule-regulated gene product degradation tag"^^xsd:string) +- AnnotationAssertion( "light-regulated gene product degradation tag"^^xsd:string) +- AnnotationAssertion( "conditional gene product degradation tag"^^xsd:string) +- AnnotationAssertion( "group_descriptor"^^xsd:string) +- AnnotationAssertion( "group_descriptor"^^xsd:string) +- AnnotationAssertion( "experimental_tool_descriptor"^^xsd:string) +- AnnotationAssertion( "experimental_tool_descriptor"^^xsd:string) +- AnnotationAssertion( "experimental_tool_descriptor"^^xsd:string) +- AnnotationAssertion( "FBcv:0007034"^^xsd:string) +- AnnotationAssertion( "FBcv:0007065"^^xsd:string) +- AnnotationAssertion( "FBcv:0007066"^^xsd:string) +- AnnotationAssertion( "FBcv:0007067"^^xsd:string) +- AnnotationAssertion( "FBcv:0007068"^^xsd:string) +- AnnotationAssertion( ) +- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in covalent tagging of the protein product with a small molecule whose properties (typically fluorescence) can be used to detect the presence of that protein product."^^xsd:string) +- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence that forms all or part of the protein product encoded by a transgenic locus or modified endogenous locus and that encodes an enzyme whose activity results in bioluminescence, which can be used to detect the presence of that protein product."^^xsd:string) +- AnnotationAssertion(Annotation( "FBC:GM"^^xsd:string) "Sequence that forms all or part of the gene product encoded by a transgenic locus or modified endogenous locus and which can be used to target a gene product for degradation in a defined manner."^^xsd:string) +- AnnotationAssertion(Annotation( "FBC:SM"^^xsd:string) "Genes whose products act in a specified signal transduction pathway."^^xsd:string) +- AnnotationAssertion(Annotation( "FBC:SM"^^xsd:string) "Genes whose products act in a specified metabolic pathway."^^xsd:string) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(owl:deprecated "true"^^xsd:boolean) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'regulatory fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'coding region fusion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'site directed mutagenesis') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'deletion') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'genomic fragment') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'minigene') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'amino acid replacement') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "This term has been obsoleted because the nature of an in vitro construct (e.g. 'RNAi') is now captured in FlyBase using SO terms instead and the parent term (in vitro construct) is used to capture the origin_of_mutation information."^^xsd:string) +- AnnotationAssertion(rdfs:comment "Degradation tool may or may not be fused directly to the degradation target."^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - regulatory fusion"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - coding region fusion"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - site directed mutagenesis"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - deletion"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - genomic fragment"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - minigene"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - amino acid replacement"^^xsd:string) +- AnnotationAssertion(rdfs:label "obsolete in vitro construct - RNAi"^^xsd:string) +- AnnotationAssertion(rdfs:label "degradation tag"^^xsd:string) +- AnnotationAssertion(rdfs:label "cell cycle-regulated degradation tag"^^xsd:string) +- AnnotationAssertion(rdfs:label "small molecule-regulated degradation tag"^^xsd:string) +- AnnotationAssertion(rdfs:label "signaling pathway group"^^xsd:string) +- AnnotationAssertion(rdfs:label "light-regulated degradation tag"^^xsd:string) +- AnnotationAssertion(rdfs:label "metabolic pathway group"^^xsd:string) +- AnnotationAssertion(rdfs:label "chemical labeling reporter"^^xsd:string) +- AnnotationAssertion(rdfs:label "bioluminescence reporter"^^xsd:string) +- AnnotationAssertion(rdfs:label "gene product degradation tool"^^xsd:string) +- AnnotationAssertion(rdfs:label "conditional degradation tag"^^xsd:string) +- Declaration(Class()) +- Declaration(Class()) +- Declaration(Class()) +- Declaration(Class()) +- Declaration(Class()) +- OntologyID(OntologyIRI() VersionIRI()) +- SubClassOf( ) +- SubClassOf( ) +- SubClassOf( ) +- SubClassOf( ) +- SubClassOf( ) +- SubClassOf( ) -82 axioms in right ontology but not in left ontology: -+ Annotation( "08:12:2023 09:27"^^xsd:string) -+ Annotation(owl:versionInfo "2023-12-08"^^xsd:string) -+ AnnotationAssertion( "FBcv:0005054"^^xsd:string) -+ AnnotationAssertion( "FlyBase miscellaneous CV"^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:13941"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:16842"^^xsd:string) "An aldehyde resulting from the formal oxidation of methanol."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:16991"^^xsd:string) "High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:17967"^^xsd:string) "A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:19024"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:19032"^^xsd:string) "A haloalkane that is bromoethane substituted by chlorine at position 2."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:19363"^^xsd:string) "A member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 5 are replaced by aziridin-1-yl groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:19508"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:19579"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:20552"^^xsd:string) "A pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:20553"^^xsd:string) "A uridine having a bromo substituent at the 5-position."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:20787"^^xsd:string) "A member of the class of tetraphenes that is tetraphene in which the hydrogens at positions 7 and 12 are replaced by bromomethyl and methyl groups, respectively."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:21183"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:21184"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:21759"^^xsd:string) "An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:22025"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:22526"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23359"^^xsd:string) "An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23414"^^xsd:string) "A metal sulfate compound having copper(2+) as the metal ion."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23704"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23705"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23994"^^xsd:string) "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:23995"^^xsd:string) "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by ethyl and nitroso groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24431"^^xsd:string) "A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24564"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24565"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24624"^^xsd:string) "A methanesulfonate salt resulting from the reaction of equimolar amounts of hycanthone and methanesulfonic acid. It was formerly used as a schistosomicide for individual or mass treatement of infection with Schistosoma haematobium and S. mansoni, but due to its toxicity and concern about possible carcinogenicity, it has been replaced by other drugs such as praziquantel."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24835"^^xsd:string) "A molecular entity that contains no carbon."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:24859"^^xsd:string) "Chemical element with atomic number 53."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25234"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25255"^^xsd:string) "A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25434"^^xsd:string) "An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25813"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25814"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25816"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25818"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:25829"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:26491"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:26709"^^xsd:string) "An inorganic sodium salt having hydrogensulfite as the counterion."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:26800"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27090"^^xsd:string) "A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27292"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27504"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27561"^^xsd:string) "A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27666"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27732"^^xsd:string) "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27789"^^xsd:string) "A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27899"^^xsd:string) "A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups)."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:27919"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28262"^^xsd:string) "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28534"^^xsd:string) "A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28741"^^xsd:string) "A metal fluoride salt with a Na(+) counterion."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28775"^^xsd:string) "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28830"^^xsd:string) "A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28876"^^xsd:string) "A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28901"^^xsd:string) "A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:28954"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:29238"^^xsd:string) "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:29865"^^xsd:string) "An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:30969"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:33118"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:34699"^^xsd:string) "The diethyl ester of sulfuric acid."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:34873"^^xsd:string) "A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:35299"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:35702"^^xsd:string) "An ether in which the oxygen atom is linked to two ethyl groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:35807"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:37595"^^xsd:string) "No description."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:37598"^^xsd:string) "Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:37972"^^xsd:string) "The radioactive isotope of phosphorus with relative atomic mass 31.973907 and half-life of 14.26 days."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:46790"^^xsd:string) "A hydroxyether that is ethanol substituted by a methoxy group at position 2."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:50102"^^xsd:string) "A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:51052"^^xsd:string) "A thioxanthen-9-one compound having a methyl substituent at the 1-position and a 2-[(diethylamino)ethyl]amino substituent at the 4-position. Formerly used for the treatment of schistosomiasis. It is a prodrug, being metabolised to hycanthone."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:53526"^^xsd:string) "Thymidine linked to the radioisotope tritium. Used to label DNA in the study of cellular and viral DNA synthesis."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:67107"^^xsd:string) "A methanesulfonate ester that is hexane-2,5-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups."^^xsd:string) -+ AnnotationAssertion(Annotation( "CHEBI:67142"^^xsd:string) "A molecule that can substitute for a normal nucleobase in nucleic acids."^^xsd:string) -+ AnnotationAssertion(rdfs:label "created by"^^xsd:string) -+ Declaration(AnnotationProperty()) -+ OntologyID(OntologyIRI() VersionIRI()) +27 axioms in right ontology but not in left ontology: ++ Annotation( "23:02:2024 09:19"^^xsd:string) ++ Annotation(owl:versionInfo "2024-02-23"^^xsd:string) ++ AnnotationAssertion(rdfs:comment "Notes on usage: Use this, rather than 'in vitro construct - deletion', for families of promoter deletions. Thus, a family of deletions of eve promoters driving Ecol\\\\lacZ will have regulatory fusion, but not deletion, as their mutagen."^^xsd:string) ++ AnnotationAssertion(rdfs:comment "Notes on usage: 1. This term is applicable whether or not rescue using the construct is complete. 2. When a smaller rescue fragment is derived from a larger, by deletion of one or both ends, the mutagen shall be 'in vitro construct | deletion', with the larger being stated as the progenitor allele."^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - regulatory fusion"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - coding region fusion"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - site directed mutagenesis"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - deletion"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - genomic fragment"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - minigene"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - amino acid replacement"^^xsd:string) ++ AnnotationAssertion(rdfs:label "in vitro construct - RNAi"^^xsd:string) ++ AnnotationAssertion(rdfs:label "gene product degradation tag"^^xsd:string) ++ AnnotationAssertion(rdfs:label "cell cycle-regulated gene product degradation tag"^^xsd:string) ++ AnnotationAssertion(rdfs:label "small molecule-regulated gene product degradation tag"^^xsd:string) ++ AnnotationAssertion(rdfs:label "light-regulated gene product degradation tag"^^xsd:string) ++ AnnotationAssertion(rdfs:label "conditional gene product degradation tag"^^xsd:string) ++ OntologyID(OntologyIRI() VersionIRI()) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) ++ SubClassOf( ) diff --git a/src/ontology/reports/synonyms.tsv b/src/ontology/reports/synonyms.tsv new file mode 100644 index 0000000..bf736f7 --- /dev/null +++ b/src/ontology/reports/synonyms.tsv @@ -0,0 +1,6163 @@ +?cls ?pred ?val ?synType + "genome variation" + "p-N,N-di-(2-chloroethyl)amino-DL-phenylalanine" + "heat sensitive" + "embryonic pattern qualifier" + "male recombination induced by dysgenesis" + "biosample treatment method" + "cold sensitive hypomorphic allele - molecular evidence" + "obsolete penetrance incomplete" + "10-20% egg length" + "split fluorescent protein" + "Jugoslavian" + "MNase-Seq" + "90% egg length" + "diethyl sulfate" + "50-60% egg length" + "non-ionizing radiation" + "recombination" + "heat sensitive amorphic allele" + "TALEN" + "decreased number" + "split driver fragment" + "signaling pathway group" + "stably transfected cell line" + "affinity purification and mass spectrometry" + "interview" + "Serbo-Croat" + "obsolete compartment boundary" + "binary expression system - regulatory region" + "subset" + "p pi25.7wc" + "conditional" + "Japanese" + "MNase-chip" + "80-90% egg length" + "targeted cell labeling" + "ChIP-Seq" + "French" + "transposable element activity" + "obsolete fully" + "gain of function allele" + "X ray" + "heat sensitive gain of function allele" + "sodium bisulphite" + "journal" + "cold sensitive hypermorphic allele" + "heat sensitive hypermorphic allele" + "obsolete balancer stock" + "red fluorescent protein" + "obsolete monophasic" + "base analog" + "light-regulated degradation tag" + "gene perturbation" + "heat sensitive antimorphic allele - genetic evidence" + "obsolete isofemale line" + "protein detection tool" + "constant dark" + "phenotypic screen" + "neuron activation tool" + "promoter trap" + "obsolete isogenic chromosome 1" + "light-regulated nuclear protein localization tag" + "obsolete maternal pattern" + "bis(2-chloroethyl) sulfide" + "60-90% egg length" + "obsolete small molecule-regulated split driver - transcription activation fragment" + "total RNA isolation" + "obsolete hobo ammunition for transposable element mutagenesis" + "lucanthone" + "obsolete pair of balancers for chromosome 2" + "protein-protein interaction" + "obsolete phiC31 based integration system" + "temperature conditional hypermorphic allele" + "fluorescent timer protein" + "Yiddish" + "result type" + "obsolete recessive lethal balancer" + "1-bromo-2-chloroethane" + "single-chain variable fragment antibody" + "biosample method" + "Illumina sequencing" + "nitrogen mustard" + "obsolete inbred line" + "paper" + "temperature-regulated neuron inhibition tool" + "FAIRE" + "short RNA isolation" + "dorsal ventral gradient" + "relative spatial qualifier" + "obsolete deficiency stock" + "obsolete late" + "hobo activity" + "gene product degradation tool" + "colchicine" + "RNA expression microarray" + "obsolete DNA sequence variant" + "Malay" + "obsolete expressivity high" + "single-cell RNA-Seq" + "obsolete light-regulated split driver - transcription activation fragment" + "intermediate" + "20-80% egg length" + "sex" + "obsolete pair of balancers for chromosome 3" + "1,4-dimethanesulfonoxy-1,4-dimethylbutane" + "multiply mapping read alignment" + "vesicle protein localization tag" + "obsolete Drosophila cell culture" + "somatic clone - Minute background" + "diepoxyoctane" + "tissue type study" + "photoconvertible fluorescent protein" + "temperature-regulated cell ablation tool" + "454 sequencing" + "preprint" + "oligo-dT priming" + "DamID" + "cell cycle study" + "Turkish" + "obsolete ventral compartment" + "group descriptor" + "note" + "40-60% egg length" + "comparative genomic hybridization by array" + "obsolete recessive lethal balancer for chromosome 1" + "cisplatin" + "non-enhancer" + "amorphic allele" + "single-end layout" + "RNAi construct collection" + "fast" + "20-70% egg length" + "restricted" + "variable" + "obsolete in vitro construct - coding region fusion" + "wild-type generic" + "binding site identification" + "liftover file" + "obsolete Whole-organism transient assay (allele from one drosophilid species assayed in another drosophilid)" + "obsolete ethanol-preserved specimen" + "styryl quinoline" + "loss of function allele" + "obsolete tactile diagram" + "split recombinase" + "anterior" + "conditional cell ablation tool" + "obsolete sequenced strain" + "cyan fluorescent protein" + "temperature conditional hypomorphic allele" + "pH sensor" + "posterior to" + "biosample" + "phiC31 integrase" + "circadian rhythm study" + "magnetic field" + "tiling path" + "enhanceable" + "Bulgarian" + "DROP-Seq" + "proximal" + "DOES NOT ameliorate" + "obsolete living stock" + "gene model annotation" + "genomic copy number profile" + "alpha ray" + "reduced" + "artificial" + "light-regulated activity regulation tag" + "obsolete laboratory stock" + "virgin male" + "obsolete Golic laboratory gene replacement kit stock" + "mitochondrial protein localization tag" + "physical stimulus study" + "20-50% egg length" + "distal" + "mass spectrometry" + "100% egg length" + "obsolete Bloomington Stock Center deficiency kit stock" + "nutrition conditional" + "INTACT nuclei isolation" + "0-60% egg length" + "small molecule-regulated neuron activation tool" + "high salt chromatin extraction" + "project attribute" + "Estonian" + "site specific recombination" + "egg length" + "antimorphic allele" + "neomorphic allele - molecular evidence" + "single-cell library sequencing" + "obsolete early" + "obsolete stock center collection" + "conditional activity regulation tag" + "qualifier" + "obsolete in vitro construct - minigene" + "mated" + "mated female" + "obsolete P cytotype stock" + "nuclear RNA isolation" + "chemical stimulus study" + "insertional mutagenesis tool" + "split driver - DNA-binding fragment" + "genome" + "10-90% egg length" + "obsolete automatic genome annotation" + "obsolete DrosDel Project deficiency core kit stock" + "p-N,N-di-(2-chloroethyl)amino-D-phenylalanine" + "chemical cell dissociation" + "temperature conditional hypomorphic allele - molecular evidence" + "obsolete extracted wild-type chromosome 3" + "obsolete penetrance complete" + "protein complex group" + "10-100% egg length" + "reduction" + "split system component" + "obsolete embryonic expression pattern" + "ZFN" + "alkylating agent" + "50-100% egg length" + "3H-deoxycytidine" + "heat sensitive amorphic allele - molecular evidence" + "ethylenimine" + "obsolete laboratory wild-type stock" + "split system combination" + "binary expression system - temperature conditional repressor" + "small molecule-regulated specific binding tool" + "transiently transfected cell line" + "p-N,N-di(2-chloroethyl)aminophenylvaleric acid" + "urethane" + "compendium" + "p pi25.1 supplied transposase" + "heat sensitive hypomorphic allele - genetic evidence" + "absent" + "project type" + "intercalator" + "cell ablation" + "female limited" + "GRO-Seq" + "FAIRE-Seq" + "80% egg length" + "chemical" + "Indonesian" + "50% egg length" + "magnification" + "temperature conditional gain of function allele" + "H3BO3" + "heat sensitive hypermorphic allele - molecular evidence" + "temperature conditional neomorphic allele - genetic evidence" + "Danish" + "whole organism" + "obsolete archive" + "intercalating agent" + "obsolete Baylor TE recombination mapping kit stock" + "obsolete lacZ balancer" + "orange fluorescent protein" + "RNA-guided ribonuclease" + "nuclease target site" + "cold sensitive antimorphic allele - genetic evidence" + "temperature-regulated specific binding tool" + "virgin" + "temperature conditional" + "metabolome" + "light-regulated split recombinase" + "metabolite isolation" + "obsolete gene descriptor" + "subcellular fractionation" + "DNase-Seq" + "Icelandic" + "Delta2-3 transposase" + "obsolete P-element ammunition for transposable element mutagenesis" + "1-amino-2-naphthol-4-sulfonic acid" + "paternal effect" + "cupric sulfate" + "cold sensitive hypermorphic allele - molecular evidence" + "heat sensitive neomorphic allele - molecular evidence" + "segment polarity expression pattern" + "gene expression profile" + "segmentally repeated" + "obsolete postage stamp" + "1,2-dichloroethane" + "culture supernatant" + "clone of cells" + "obsolete conference proceedings" + "obsolete recording" + "small molecule-regulated neuron inhibition tool" + "film" + "metabolite mass spectrometry" + "Russian" + "obsolete anterior compartment" + "species list" + "conditional split recombinase" + "anterior posterior gradient" + "obsolete DrosDel Project deficiency stock" + "obsolete dominant male sterile balancer for chromosome 2" + "MRF31.1 induced male recombination" + "progressive" + "RIP-Seq" + "Lithuanian" + "obsolete expressivity incomplete" + "Flemish" + "segregation" + "obsolete conditional split driver - transcription activation fragment" + "1,2:5,6-dibenzanthracene" + "S-2-chloroethylcysteine" + "allele class" + "reference genome assembly" + "bibliographic list" + "photoactivatable fluorescent protein" + "high-throughput sequencing" + "qualitative qualifier" + "press release" + "RNA detection tool" + "obsolete ammunition source for transposable element mutagenesis" + "polyA trap" + "ChIP" + "news article" + "genetic screen" + "Swedish" + "obsolete posterior compartment" + "obsolete mutant stock" + "MRF23.5 induced male recombination" + "caffeine" + "genomic DNA isolation" + "dsRNA amplicon collection" + "gene list" + "balancer descriptor" + "Ribo-Seq" + "Latvian" + "obsolete expressivity complete" + "30-50% egg length" + "dorso-lateral" + "slow" + "20-60% egg length" + "editing site identification" + "uniform" + "obsolete in vitro construct - regulatory fusion" + "wild-type allele" + "obsolete In transgenic Drosophila (allele of one drosophilid species in genome of another drosophilid)" + "obsolete sequenced whole genome stock" + "obsolete piggyBac transposase source for transposable element mutagenesis" + "Ukrainian" + "whole genome shotgun sequencing" + "obsolete pair of homologous balancers" + "obsolete T-shirt" + "photomodulatable fluorescent protein" + "spatial qualifier" + "cell ablation tool" + "obituary" + "calcium ion sensor" + "Sanger sequencing" + "bioluminescence reporter" + "expression array" + "developmental stage study" + "spontaneous" + "enhancer" + "plasma membrane protein localization tag" + "uniquely mapping read alignment" + "N-nitrosodiethylamine" + "construct collection" + "Belarussian" + "CRISPR/Cas9" + "environmental" + "posterior" + "in vitro construct" + "hypermorphic allele - genetic evidence" + "exon junction identification" + "intense" + "ionizing radiation" + "poor" + "actinomycin D" + "obsolete Whole-organism transient assay" + "database" + "supplementary material" + "segment boundary" + "conference report" + "Janus green B" + "binary expression system - driver" + "20-40% egg length" + "peptide array" + "enzymatic cell dissociation" + "small molecule sensor" + "oligo-dT selection" + "0-50% egg length" + "low salt chromatin extraction" + "40-50% egg length" + "light-regulated neuron activation tool" + "obsolete dominant male sterile balancer for chromosome 3" + "genome representation - partial" + "252Cf fission neutron" + "site specific cleavage" + "obsolete Artavanis laboratory" + "isolated nuclei" + "obsolete genomic DNA" + "multispecies sample" + "30-90% egg length" + "irradiation" + "obsolete good" + "7-bromomethyl-12-methylbenz[a]anthracene" + "gene product activity regulation tag" + "virgin female" + "TAPIN nuclei isolation" + "small molecule-regulated protein cleavage tag" + "TSS identification" + "obsolete computer file" + "biotic stimulus study" + "split reporter enzyme" + "genomic tiling array" + "obsolete Gene Disruption Project stock" + "10-80% egg length" + "proximity labeling tool (DNA)" + "methyl methanesulfonate" + "ends-in gene targeting" + "cold sensitive gain of function allele" + "spoof" + "project" + "60-80% egg length" + "0-40% egg length" + "obsolete extracted wild-type chromosome 2" + "temperature-regulated neuron activation tool" + "0-30% egg length" + "gene complex group" + "beta-estradiol conditional" + "sequence tagged site mapping" + "obsolete dominant temperature-sensitive lethal balancer for chromosome 2" + "3H" + "cold sensitive amorphic allele - molecular evidence" + "ethyl ether" + "ameliorates" + "TE insertion stock collection" + "obsolete Carpenter laboratory" + "dominant" + "obsolete extracted wild-type chromosome" + "nanobody" + "temperature conditional antimorphic allele - genetic evidence" + "binary expression system - conditional repressor" + "obsolete contralateral" + "interactome" + "tetracycline conditional" + "N-nitrosodimethylamine" + "hycanthon methanesulfonate" + "cell type-specific RNA-sequencing analysis" + "cold sensitive hypomorphic allele - genetic evidence" + "semidominant" + "dataset data type" + "functional group" + "ChIP-chip" + "U.V." + "non-suppressible" + "40-90% egg length" + "32P" + "heat sensitive amorphic allele - genetic evidence" + "mitotic recombination" + "hypomorphic allele - molecular evidence" + "cold sensitive neomorphic allele" + "obsolete collection" + "Czech" + "biosample type" + "226Ra alpha ray" + "obsolete in vitro construct - genomic fragment" + "interspecific hybrid" + "vinyl carbamate" + "obsolete hobo family transposable element insertions absent" + "obsolete death certificate" + "umbrella project" + "light-regulated specific binding tool" + "binary expression system - conditional driver" + "Italian" + "obsolete penetrance qualifier" + "obsolete RFLP" + "10% egg length" + "mechanical force sensor" + "cell isolation" + "DNase-chip" + "Hungarian" + "PM hybrid dysgenesis" + "unequal recombination" + "inorganic compound" + "temperature conditional hypermorphic allele - molecular evidence" + "heat sensitive neomorphic allele" + "Cumbrian" + "other" + "pair rule expression pattern" + "structural qualifier" + "tissue dissection" + "temperature conditional neomorphic allele" + "driver-specific gene expression profile" + "FlyBase CV" + "recombinase target site" + "blue fluorescent protein" + "cell culture property" + "carbohydrate mass spectrometry" + "erratum" + "20-30% egg length" + "odd pair rule expression pattern" + "Romanian" + "obsolete compartment" + "carbamate" + "obsolete meeting report" + "small molecule-regulated recombinase" + "male limited" + "70-90% egg length" + "conditional recombinase" + "cre recombinase" + "phenotypic profile" + "80-100% egg length" + "quinhydrone" + "obsolete Szeged Drosophila Stock Centre" + "RK3" + "genome assembly" + "nuclear protein localization tag" + "yellow fluorescent protein" + "RNA engineering tool" + "physical treatment" + "obsolete duplication stock" + "poster" + "gene product detection tool" + "obsolete transposase source for transposable element mutagenesis" + "protein sequence record" + "gene trap" + "Serbo-Croat(Roman)" + "lipid mass spectrometry" + "even pair rule expression pattern" + "RNA-protein isolation" + "dataset attribute" + "obsolete frozen specimen" + "MRT007 induced male recombination" + "obsolete small molecule-regulated split driver - DNA-binding fragment" + "obsolete SNP recombination mapping stock" + "assay material" + "Latin" + "obsolete expressivity qualifier" + "30-40% egg length" + "obsolete dominant female sterile balancer for chromosome 2" + "somatic clone" + "1,6-dimethylsulfonoxy L-mannitol" + "rescuable maternal effect" + "diepoxybutane" + "cold sensitive neomorphic allele - molecular evidence" + "immortalized cell line" + "obsolete hobo transposase source for transposable element mutagenesis" + "protein localization tag" + "single balancer" + "modulatable fluorescent protein" + "adherent culture" + "signal transduction pathway activity sensor" + "obsolete dominant temperature-sensitive lethal balancer for chromosome 3" + "experimental tool descriptor" + "light-regulated neuron inhibition tool" + "protein trap" + "DNase" + "assay method" + "microarray library" + "chemical labeling reporter" + "obsolete gene expression qualifier" + "dsRNA depletion" + "chemical conditional" + "parental effect" + "membrane protein localization tag" + "30-100% egg length" + "assay attribute" + "temporal qualifier" + "cDNA library" + "unstranded profile" + "obsolete synthetic" + "antimorphic allele - genetic evidence" + "poly(A) site identification" + "granular" + "epoxy hydrocarbon" + "sequence record" + "obsolete In transgenic Drosophila" + "cell non-autonomous" + "autobiography" + "stock list" + "biological process activity sensor" + "vicinity of" + "iodine" + "single molecule real time sequencing" + "mechanical cell dissociation" + "genetically encoded sensor" + "assay material selection" + "ventral to" + "obsolete microscope slides" + "deficiency screen" + "Spanish" + "obsolete dorsal compartment" + "40-100% egg length" + "metabolic pathway group" + "obsolete n hr" + "benzo(alpha)pyrene" + "genome representation - full" + "virgin male limited" + "model of" + "punctate" + "obsolete M cytotype stock" + "stranded profile" + "Golgi protein localization tag" + "multi-individual sample" + "piggyBac activity" + "partially" + "2,5-bis(ethyleneimino)-1,4-benzoquinone" + "obsolete allele assay method" + "endoplasmic reticulum protein localization tag" + "multicolor cell labeling tool" + "mRNA translation profile" + "book review" + "hexamethylphosphoramide" + "obsolete Bloomington duplication kit stock" + "Affymetrix Gene Expression Array 2" + "origin of mutation" + "surrounding" + "obsolete slides" + "dataset entity type" + "60-100% egg length" + "sex study" + "40% egg length" + "0-20% egg length" + "obsolete n day" + "heat" + "restriction fingerprinting" + "suppressible" + "cold sensitive amorphic allele" + "Armenian" + "medial" + "transgenic insertion collection" + "obsolete Nusslein-Volhard laboratory" + "obsolete temporal stage qualifier" + "obsolete E cytotype stock" + "engineered antibody" + "cold sensitive antimorphic allele" + "obsolete visible allele recombination mapping stock" + "single cell sample" + "genome binding profile" + "cell labeling tool" + "binary expression system component" + "proteome" + "publication language" + "obsolete Cambridge 2 duplication kit stock" + "ethyl nitrosourea" + "cell type-specific gene expression profile" + "review" + "dataset descriptor" + "codominant" + "0-100% egg length" + "gene array group" + "Finnish" + "CAGE-Seq" + "neutron" + "cold sensitive loss of function allele" + "hesperidine" + "non-suppressor" + "cold sensitive amorphic allele - genetic evidence" + "temperature conditional amorphic allele" + "hypomorphic allele" + "transcriptional cell cluster" + "ubiquitous" + "30-80% egg length" + "RPM calculation" + "137Cs gamma ray" + "trait selection" + "obsolete hobo family transposable element insertions present" + "10-70% egg length" + "proximity labeling tool (RNA)" + "jumpstarter activity" + "conditional degradation tag" + "redox state sensor" + "0-90% egg length" + "Repli-Seq" + "assay type" + "2-fluoroethyl methanesulfonate" + "I-SceI" + "50-80% egg length" + "obsolete Drosophila Genetic Resource Center" + "intralocus exchange" + "edited book" + "Chinese" + "reagent" + "obsolete fluorescent balancer" + "60Co gamma ray" + "growth condition" + "1,2-dibromoethane" + "integrase target site" + "heat sensitive antimorphic allele - molecular evidence" + "binary expression system - small molecule-regulated driver" + "lecture" + "primary cell culture" + "RU486 conditional" + "gradient" + "obsolete transposable element mutagenesis stock" + "nitrosomethyl urea" + "20-100% egg length" + "recombinase" + "obsolete minos ammunition for transposable element mutagenesis" + "editorial" + "temperature conditional hypomorphic allele - genetic evidence" + "reagent collection" + "sex limited" + "light-regulated nuclear export signal" + "70-80% egg length" + "supersonic" + "obsolete P-element transposase source for transposable element mutagenesis" + "obsolete San Diego Drosophila Species Stock Center" + "RNA-guided nuclease" + "docking element" + "chemical treatment" + "cold sensitive antimorphic allele - molecular evidence" + "obsolete transposable element-containing stock" + "conditional specific binding tool" + "light-dark cycle" + "size fractionation" + "DNA/RNA sequence record" + "gap expression pattern" + "Portuguese" + "protein mass spectrometry" + "I-CreI" + "chromatin isolation" + "cell autonomy qualifier" + "obsolete extracted wild-type chromosome Y" + "70-100% egg length" + "Polish" + "obsolete dominant visible allele recombination mapping stock" + "DamID-Seq" + "Hebrew" + "P-element activity" + "obsolete light-regulated split driver - DNA-binding fragment" + "germline clone" + "1,6-dimethylsulfonoxy D-mannitol" + "heat sensitive hypermorphic allele - genetic evidence" + "non-rescuable maternal effect" + "aminopterin" + "obsolete isogenic chromosome 3" + "obsolete Bloomington Drosophila Stock Center" + "gene product localization tag" + "descriptor" + "RMCE donor element" + "p-N,N-di-(2-chloroethyl)aminophenylbutyric acid" + "ends-out gene targeting" + "green fluorescent protein" + "integrase" + "conditional neuron inhibition tool" + "affinity purification" + "MNase" + "protein isolation" + "HBL1 supplied transposase" + "DNA" + "neuronal activity perturbation" + "RNA tiling array" + "allele descriptor" + "Norwegian" + "obsolete recessive visible allele recombination mapping stock" + "metabolite profile" + "expression cluster" + "disease qualifier" + "30% egg length" + "female" + "obsolete dominant female sterile balancer" + "dominance relationship qualifier" + "recessive" + "maternal effect" + "obsolete stock descriptor" + "60-70% egg length" + "p-p'-N,N-di(2-chloroethyl)aminophenoxyphenylalanine" + "newspaper article" + "RK2" + "whole genome shotgun assembly" + "curated genome annotation" + "obsolete advertisement" + "central" + "small molecule-regulated cell ablation tool" + "poem" + "neuron inhibition tool" + "obsolete deficiency kit stock" + "unbound RNA depletion" + "stationary phase cells" + "RNAi screen" + "letter" + "Slovenian" + "obsolete dorsal/ventral compartment boundary" + "obsolete Vienna Drosophila RNAi Center" + "MRh12 induced male recombination" + "clone-based finishing" + "fly strain collection" + "purification tag" + "result attribute" + "obsolete in vitro construct - deletion" + "obsolete extracted wild-type chromosome 1" + "expression clustering" + "reagent collection type" + "obsolete Whole-organism transient assay (allele of foreign species assayed in drosophilid)" + "triethylenemelamine" + "microtubule protein localization tag" + "hypomorphic allele - genetic evidence" + "gene study" + "thesis" + "abstract" + "infra-red fluorescent protein" + "basal" + "small molecule-regulated degradation tag" + "hexamethylmelamine" + "proximal to" + "nuclear run-on" + "Slovak" + "obsolete anterior/posterior compartment boundary" + "ssRNA depletion" + "ventro-lateral" + "publication class" + "strain study" + "obsolete mid" + "cold" + "suppressor" + "Arabic" + "allele collection" + "10x sequencing" + "lateral" + "obsolete piggyBac ammunition for transposable element mutagenesis" + "neomorphic allele - genetic evidence" + "faint" + "obsolete preserved specimen" + "obsolete H cytotype stock" + "centrosome protein localization tag" + "protease target site" + "biosample scope" + "alkylating agent" + "protein cleavage tag" + "obsolete duplication kit stock" + "cell dissociation" + "conditional neuron activation tool" + "cell cycle-regulated degradation tag" + "0-80% egg length" + "Stalker element activity" + "species study" + "Farsi" + "I-element activity" + "assembly level - scaffold" + "0-10% egg length" + "temperature" + "neomorphic allele" + "genetic interaction qualifier" + "deuteron" + "heat sensitive loss of function allele" + "formaldehyde" + "mated male limited" + "Afrikaans" + "exacerbates" + "obsolete ipsilateral" + "cell clustering analysis" + "RPMM calculation" + "single individual sample" + "30-70% egg length" + "gypsy element activity" + "obsolete isogenic stock" + "2-methoxyethanol" + "small molecule-regulated activity regulation tag" + "protease" + "obsolete booklet" + "gene product cleavage tag" + "10-60% egg length" + "p-N,N-di-(2-chloroethyl)amino-L-phenylalanine" + "proximity labeling tool (protein)" + "biosample preparation method" + "heat sensitive hypomorphic allele - molecular evidence" + "60% egg length" + "process group" + "2-chloroethyl methanesulfonate" + "50-70% egg length" + "Bevatron" + "temperature conditional loss of function allele" + "fagaronine" + "temperature conditional amorphic allele - genetic evidence" + "single-nucleus RNA-Seq" + "temperature conditional neomorphic allele - molecular evidence" + "obsolete Garcia-Bellido laboratory" + "primary cell line" + "30-60% egg length" + "RPKM calculation" + "obsolete in vitro construct - other" + "gamma ray" + "light conditional" + "ICR 170" + "suspension culture" + "heat sensitive antimorphic allele" + "obsolete mapping stock" + "Bxb1 integrase" + "unpublished" + "transcriptome" + "meganuclease" + "10-50% egg length" + "drug conditional" + "proximity labeling tool" + "natural gas" + "FlyBase analysis" + "ethyl methanesulfonate" + "cold sensitive hypomorphic allele" + "result" + "somatic clone - tissue specific, Minute background" + "stratosphere" + "sodium fluoride" + "heat sensitive neomorphic allele - genetic evidence" + "English" + "isolated cells" + "obsolete isogenic chromosome 4" + "cell autonomous" + "quinacrine mustard" + "nuclease" + "cell cycle synchronized cells" + "temperature conditional antimorphic allele - molecular evidence" + "small molecule-regulated split driver fragment" + "light-regulated split driver fragment" + "obsolete Whole-organism transient assay (intraspecific)" + "constant light" + "chemical screen" + "cold sensitive" + "obsolete Golic gene replacement kit stock" + "methoxy diethylnitrosamine" + "binary expression system - light-regulated driver" + "N-methyl-N'-nitro-N-nitrosoguanidine" + "heat sensitive hypomorphic allele" + "RAMPAGE-Seq" + "assay" + "obsolete polymorphism assay" + "Korean" + "obsolete penetrance percent" + "obsolete extracted wild-type chromosome 4" + "somatic clone - tissue specific" + "phenotype qualifier" + "70% egg length" + "DamID-chip" + "Greek" + "Stalker-hybrid dysgenesis" + "gene conversion" + "enzyme inhibitor" + "cold sensitive hypermorphic allele - genetic evidence" + "Catalan" + "phylogenetic analysis" + "terminal expression pattern" + "obsolete Exelixis Drosophila Stock Collection at Harvard Medical School" + "obsolete absolute temporal qualifier" + "RMCE target element" + "1,4-dimethanesulfonoxybutane" + "fluorescent protein" + "obsolete jigsaw puzzle" + "genome engineering tool" + "20% egg length" + "two hybrid screen" + "binary expression system - repressor" + "mononucleosomal DNA isolation" + "minos activity" + "translated mRNA isolation" + "hobo dysgenesis" + "RNA-Seq" + "Malayalam" + "obsolete expressivity low" + "CLiP-Seq" + "German" + "IR-hybrid dysgenesis" + "RNA-RNA interaction" + "male" + "1,4-dimethanesulfonoxybut-2-yne" + "temperature conditional hypermorphic allele - genetic evidence" + "obsolete balancer for chromosome 3" + "5-bromouridine" + "obsolete multi-female collection" + "physical map" + "RK1" + "5-bromouracil" + "obsolete balancer for chromosome 2" + "obsolete relative temporal qualifier" + "photoswitchable fluorescent protein" + "biotic treatment" + "obsolete recently collected stock" + "neuron activity regulation tool" + "misexpression element" + "personal communication to FlyBase" + "reporter enzyme" + "dorsal to" + "obsolete demonstration" + "obsolete isogenic chromosome 2" + "log phase cells" + "short RNA-Seq" + "striped" + "amorphic allele - molecular evidence" + "obsolete conditional split driver - DNA-binding fragment" + "poly(A) RNA isolation" + "genomic clone collection" + "nuclear export signal" + "RNA-protein interaction" + "obsolete in vitro construct - site directed mutagenesis" + "isoallele" + "differential gene expression analysis" + "obsolete In transgenic Drosophila (allele of foreign species in genome of drosophilid)" + "obsolete phiC31 docking site stock" + "epitope tag" + "mutant scorability rank" + "genetic map" + "obsolete balancer for chromosome 1" + "obsolete polyphasic" + "subcellular component study" + "teaching note" + "far-red fluorescent protein" + "apical" + "engineered transcription regulatory region" + "Affymetrix Gene Expression Array 1" + "gene targeting by homologous recombination" + "website" + "patent" + "distal to" + "voltage sensor" + "CAGE" + "anterior to" + "density sedimentation" + "rRNA depletion" + "40-80% egg length" + "ventral" + "publication descriptor" + "dimethyl sulfoxide" + "phenotypic class" + "20-90% egg length" + "obsolete dominant male sterile balancer" + "aberration stock collection" + "signal sequence" + "morphological qualifier" + "wild caught" + "obsolete micropublication" + "obsolete unclassified chemical" + "obsolete stock by cytotype" + "obsolete minos transposase source for transposable element mutagenesis" + "cell type study" + "peroxisomal protein localization tag" + "light-regulated cell ablation tool" + "engineered regulatory region" + "two channel scanning" + "starvation" + "calorie restriction conditional" + "degradation tag" + "random priming" + "0-70% egg length" + "gene or gene product group" + "40-70% egg length" + "assay material depletion" + "obsolete recessive lethal balancer for chromosome 2" + "study design" + "assembly level - chromosome" + "natural population" + "hypermorphic allele" + "non-enhanceable" + "mated female limited" + "increased number" + "DOES NOT model" + "paired-end layout" + "ectopic" + "obsolete dominant female sterile balancer for chromosome 3" + "analysis" + "obsolete pinned specimen" + "mariner activity" + "obsolete wild-type stock" + "triaziquone" + "p-N,N-di-(2-chloroethyl)aminophenylethylamine" + "amorphic allele - genetic evidence" + "RNA-seq profile" + "gene product engineering tool" + "specific binding tool" + "book" + "split driver - transcription activation fragment" + "retraction" + "precursor" + "chromophore-assisted light inactivation tag" + "50-90% egg length" + "pathway group" + "radio waves" + "cytogenetic mapping" + "3H-thymidine" + "temperature conditional amorphic allele - molecular evidence" + "ethylene oxide" + "virgin female limited" + "Smart-seq2" + "antimorphic allele - molecular evidence" + "DOES NOT exacerbate" + "obsolete Saxton laboratory" + "obsolete molecular extract" + "obsolete selected wild-type stock" + "obsolete in vitro construct - RNAi" + "antibody" + "mated male" + "obsolete dominant temperature-sensitive lethal balancer" + "temperature conditional antimorphic allele" + "obsolete P-element family transposable element insertions present" + "biosample attribute" + "biography" + "dorsal" + "genome binding" + "obsolete recessive lethal balancer for chromosome 3" + "obsolete Exelixis deficiency kit stock" + "90-100% egg length" + "10-40% egg length" + "gene product activity sensor" + "Faroese" + "10-30% egg length" + "FLPase" + "0% egg length" + "detachment" + "hypermorphic allele - molecular evidence" + "cold sensitive neomorphic allele - genetic evidence" + "obsolete laboratory collection" + "Dutch" + "tissue" + "obsolete in vitro construct - amino acid replacement" + "mitomycin C" + "obsolete P-element family transposable element insertions absent" + "enzyme inhibitor" + "conditional split driver fragment" + "enhancer trap" + "obsolete In transgenic Drosophila (intraspecific)" + "white paper" + "cysteinium" + "L-alpha-amino acid zwitterion" + "quality"@en + "tubulin modulator" + "hycanthone mesylate" + "alpha-amino-acid anion" + "uracil" + "butanediol" + "insecticide" + "carbamic acid" + "cyclic ketone" + "N-methyl-N-nitrosourea" + "2,5-bis(aziridin-1-yl)-1,4-benzoquinone" + "organobromine compound" + "proteinogenic amino-acid side-chain group" + "physiological role" + "carboxylic ester" + "D-alpha-amino acid zwitterion" + "isotopically modified compound" + "pterins" + "organic salt" + "transition element molecular entity" + "sulfates" + "carboxamidine" + "2-methoxyethanol" + "monocarboxylic acid" + "sulfurous acid" + "hydroxyether" + "short-chain fatty acid" + "quinacrine" + "antiprotozoal drug" + "methanesulfonates" + "carbon atom" + "melphalan" + "pnictogen hydride" + "N-nitrosodiethylamine" + "pharmacological role" + "main group molecular entity" + "methanesulfonate salt" + "dihydrogenborate" + "fundamental metabolite" + "ester" + "N-acyl-D-alpha-amino acid anion" + "aetiopathogenetic role" + "guanidinium ion" + "polycyclic heteroarene" + "N-acyl-D-amino acid" + "electron" + "organic acid" + "sodium salt" + "phosphorus oxoacid" + "heterocyclic organic fundamental parent" + "explosive" + "diagnostic agent" + "alkanesulfonic acid" + "1,4-benzoquinones" + "copper(2+)" + "nucleic acid" + "inorganic acid" + "amino acid" + "hydrogen fluoride" + "chalcocarbonic acid" + "sulfonic acid" + "allergen" + "organic hydride" + "antineoplastic agent" + "benzenoid aromatic compound" + "(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one" + "aromatic amine" + "organic oxo compound" + "guanine" + "hydroquinone" + "zwitterion" + "amino-acid cation" + "non-polar solvent" + "mouse metabolite" + "nucleobase analogue" + "busulfan" + "phenylpropanoid" + "L-glutamic acid derivative" + "organic univalent group" + "pro-agent" + "nephrotoxic agent" + "sulfur-containing carboxylic acid" + "mitomycin C(1-)" + "thymidine" + "organic molecular entity" + "addition compound" + "organic mancude parent" + "bromohydrocarbon" + "polyol" + "ryanodine receptor modulator" + "ICR-170" + "atomic nucleus" + "carbonyl compound" + "phosphorus oxoanion" + "cholinergic drug" + "organic heterotricyclic compound" + "onium compound" + "dicarboxylic acid anion" + "EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor" + "alkyl group" + "folate(2-)" + "metal sulfate" + "B vitamin" + "transition element cation" + "aziridines" + "boron oxoanion" + "ethyl methanesulfonate" + "benzenediols" + "aziridinium ion" + "polar amino acid zwitterion" + "diagnostic imaging agent" + "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor" + "biological role" + "glutamate(2-)" + "benzophenanthridine alkaloid" + "chemosterilant" + "antimicrobial agent" + "oxolanes" + "oxoacid" + "homocyclic compound" + "copper atom" + "actinomycin D" + "dimethyl sulfoxide" + "polar amino acid" + "monoatomic fluorine" + "cyclic hydrocarbon" + "copper group molecular entity" + "radical scavenger" + "eukaryotic metabolite" + "L-phenylalanine derivative" + "triamino-1,3,5-triazine" + "heterocyclic compound" + "sodium atom" + "central nervous system stimulant" + "glutamine family amino acid" + "chemical entity" + "pyrimidone" + "D-glutamate(1-)" + "nitrogen hydride" + "phenylalanine" + "Daphnia magna metabolite" + "dimethylmyleran" + "benzoic acids" + "organosulfur heterocyclic compound" + "hydroxynaphthalene" + "pnictogen molecular entity" + "nitro group" + "hexamethylphosphoric triamide" + "cofactor" + "glutamic acid" + "cysteinate(2-)" + "naphthols" + "organohalogen compound" + "1,4-benzoquinone" + "base" + "valeric acid" + "D-phenylalanine derivative" + "valerate" + "sulfonate" + "hesperetin" + "N-methyl-N'-nitro-N-nitrosoguanidine" + "carbamimidic acid" + "monocyclic compound" + "flavans" + "1,2:7,8-diepoxyoctane" + "fertilizer" + "p-N,N-bis(2-chloroethyl)amino-D-phenylalanine" + "fatty acid" + "N-acyl-L-amino acid" + "food propellant" + "apoptosis inducer" + "insect sterilant" + "food additive" + "dihydrogenphosphate" + "polyatomic anion" + "nitrogen group" + "canonical deoxyribonucleotide residue" + "oxygen molecular entity" + "schistosomicide drug" + "oligosaccharide" + "hydroxy group" + "monoatomic ion" + "alkylbenzene" + "organonitrogen compound" + "sulfoxide" + "thymine" + "nephrotoxin" + "disposition"@en + "benzyl group" + "organic hydroxy compound" + "L-alpha-amino acid anion" + "hydrogenphosphate" + "gas molecular entity" + "benzoquinones" + "subatomic particle" + "agrochemical" + "continuant"@en + "dicarboxylic acid dianion" + "aromatic amino-acid anion" + "biophysical role" + "nitrogen molecular entity" + "pteridines" + "mancude organic heterotricyclic parent" + "one-carbon compound" + "process"@en + "amino acid zwitterion" + "solvent" + "aziridine" + "EC 6.3.* (C-N bond-forming ligase) inhibitor" + "ortho-fused polycyclic hydrocarbon" + "boron oxoacid" + "sulfo group" + "hydroxyflavanone" + "phenolic donor" + "nuclear particle" + "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor" + "tritiated thymidine" + "EC 1.* (oxidoreductase) inhibitor" + "amino-acid residue" + "monoanion" + "EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor" + "carcinogenic agent" + "uridines" + "role"@en + "organosulfonic ester" + "EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor" + "anthelminthic drug" + "canonical deoxyribonucleoside residue" + "aminopurine" + "monoatomic entity" + "urethane" + "sodium molecular entity" + "methanesulfonic acid" + "EC 2.7.7.* (nucleotidyltransferase) inhibitor" + "food component" + "tetraphenes" + "EC 3.1.4.* (phosphoric diester hydrolase) inhibitor" + "D-phenylalanine zwitterion" + "alkane" + "antiplatyhelmintic drug" + "7H-purine" + "hycanthone(1+)" + "fuel additive" + "genotoxin" + "alcohol" + "carboxylic acid" + "Escherichia coli metabolite" + "antiparasitic agent" + "adenosine receptor antagonist" + "human urinary metabolite" + "calcium channel modulator" + "phenylalaninate" + "d-block element atom" + "antifolate" + "trihydroxyflavanone" + "chloride" + "halogen" + "telbivudine" + "organic tricyclic compound" + "information biomacromolecule" + "nonmetal atom" + "receptor modulator" + "dicarboxylic acid" + "EC 5.99.1.* (miscellaneous isomerase) inhibitor" + "immunosuppressive agent" + "carboxamide" + "carbohydrate derivative" + "antidote" + "boric acid" + "organochlorine compound" + "microtubule-destabilising agent" + "mammalian metabolite" + "drug" + "straight-chain fatty acid anion" + "baryon" + "ortho-fused polycyclic arene" + "L-phenylalanine" + "monoatomic monocation" + "butane-1,4-diol" + "organyl group" + "nickel group element atom" + "ortho- and peri-fused compound" + "borate ion" + "aromatic amino-acid zwitterion" + "metal cation" + "organic polycyclic compound" + "crustacean metabolite" + "nucleobase-containing molecular entity" + "disinfectant" + "tetraphene" + "folic acid" + "1H-purine" + "carbon group molecular entity" + "elemental copper" + "metal atom" + "polycyclic arene" + "carbohydrates and carbohydrate derivatives" + "polar solvent" + "sulfuric ester" + "organic divalent group" + "2'-deoxyribonucleoside" + "organic ion" + "straight-chain fatty acid" + "homopolycyclic compound" + "hepatotoxic agent" + "alpha-amino acid zwitterion" + "acetamides" + "aromatic compound" + "sulfur oxoanion" + "1-methoxy-N-nitrosodiethylamine" + "nitroguanidine" + "bacterial metabolite" + "L-glutamate(1-)" + "monoatomic hydrogen" + "EC 5.99.1.2 (DNA topoisomerase) inhibitor" + "copper cation" + "general anaesthetic" + "hydrogencarbonate" + "hydracid" + "S-2-chloroethylcysteine" + "N-glycosyl compound" + "metabolite" + "electron donor" + "octane" + "hexamethylmelamine" + "poison" + "sulfate" + "D-alpha-amino acid" + "non-narcotic analgesic" + "nucleobase" + "lipid" + "4'-methoxyflavanones" + "EC 3.* (hydrolase) inhibitor" + "erythrose 4-phosphate/phosphoenolpyruvate family amino acid" + "primary amide" + "EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor" + "inorganic hydride" + "oxacycle" + "molecular messenger" + "volatile oil component" + "p-N,N-bis(2-chloroethyl)aminophenylvaleric acid" + "pnictogen" + "d-block molecular entity" + "reagent" + "methyl methanesulfonate" + "dipolar compound" + "benzo[a]pyrene" + "apoptosis inhibitor" + "annulene" + "canonical nucleotide residue" + "iodine atom" + "elemental halogen" + "oxide" + "diol" + "hydron" + "alkali metal salt" + "cysteine zwitterion" + "cross-linking reagent" + "monoatomic cation" + "carbonyl group" + "1,2-dichloroethane" + "peptide antibiotic" + "immunomodulator" + "guanidines" + "chlorambucil" + "Lewis base" + "2-carboxyethyl group" + "tertiary ammonium ion" + "heteroorganic entity" + "p-block molecular entity" + "sodium fluoride" + "nitrosamine" + "polyatomic cation" + "chloronium" + "cysteinate(1-)" + "3'-hydroxyflavanones" + "realizable entity"@en + "disaccharide derivative" + "phenylalanine derivative" + "monoatomic halogen" + "1-bromo-2-chloroethane" + "D-phenylalanine" + "antiviral agent" + "monovalent inorganic cation" + "adenosine A2A receptor antagonist" + "phosphorus-32 atom" + "1,3,5-triazines" + "pyrimidine nucleoside" + "neurotransmitter" + "aminoacridines" + "diepoxybutane" + "fermion" + "fluoride" + "organosulfonate salt" + "neurotoxin" + "biochemical role" + "oxygen atom" + "flavonoid oxoanion" + "salt" + "cosmetic" + "methylbenzene" + "rutinoside" + "4-aminofolic acid" + "hydrocarbon" + "elemental chlorine" + "ortho-fused bicyclic hydrocarbon" + "acridines" + "ammonium ion derivative" + "protein kinase inhibitor" + "flavonoids" + "lucanthone" + "4-(2-aminoethyl)-N,N-bis(2-chloroethyl)aniline" + "N-acyl-L-alpha-amino acid anion" + "purine nucleobase" + "cholinergic antagonist" + "hesperidin" + "heterotricyclic compound" + "inhalation anaesthetic" + "acyl group" + "halide anion" + "antiinfective agent" + "canonical nucleoside residue" + "non-proteinogenic L-alpha-amino acid" + "fumigant" + "p-block element atom" + "straight-chain saturated fatty acid anion" + "formyl group" + "monomethoxyflavanone" + "sulfuric acid" + "ortho-fused bicyclic arene" + "Bronsted acid" + "aromatic amino acid" + "dihydroxytetrahydrofuran" + "mutagen" + "aminonaphthalene" + "marine metabolite" + "biomacromolecule" + "benzylic group" + "aromatic annulene" + "purine alkaloid" + "EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor" + "organic heteromonocyclic compound" + "toluenes" + "hydroquinones" + "ortho- and peri-fused polycyclic arene" + "ion" + "5-bromouridine" + "isoquinoline alkaloid" + "amino acid derivative" + "hydrogensulfite" + "boron molecular entity" + "saturated fatty acid anion" + "nitrogen atom" + "proteinogenic amino acid" + "mitomycin C" + "monocarboxylic acid amide" + "oxo group" + "borate" + "sulfuric acid derivative" + "thioxanthenes" + "protective agent" + "diazines" + "monohydroxytetrahydrofuran" + "ribonucleoside" + "saturated organic heteromonocyclic parent" + "aziridinium" + "human blood serum metabolite" + "xenobiotic" + "non-proteinogenic alpha-amino acid" + "fungal metabolite" + "antagonist" + "5-bromouracil" + "carbopolycyclic compound" + "benzene" + "bromoalkane" + "EC 3.1.3.1 (alkaline phosphatase) inhibitor" + "mancude organic heterocyclic parent" + "L-phenylalaninium" + "diamminedichloroplatinum" + "atom" + "vinyl carbamate" + "EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitor" + "pyrimidine deoxyribonucleoside" + "donor" + "L-glutamic acid" + "cation" + "azaarene" + "hydrogen halide" + "molecule" + "cysteine" + "saturated organic heterocyclic parent" + "tritium atom" + "glycol" + "purine" + "pteroates" + "hydrogen chloride" + "platinum molecular entity" + "animal metabolite" + "naphthalene" + "skin lightening agent" + "aliphatic compound" + "mancude organic heterobicyclic parent" + "halide salt" + "chlorine molecular entity" + "D-phenylalaninium" + "copper(II) sulfate" + "pyrimidine nucleobase" + "N-nitrosoureas" + "hydrocarbyl group" + "benzopyran" + "cyclic compound" + "carbon group element atom" + "catalyst" + "triaziquone" + "Janus Green B cation" + "boron group molecular entity" + "formate" + "EC 3.1.* (ester hydrolase) inhibitor" + "chloroethanes" + "chemical role" + "ether" + "ureas" + "methoxyflavanone" + "EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitor" + "monoatomic anion" + "nucleophilic reagent" + "D-phenylalaninate" + "dye" + "copper molecular entity" + "oxoanion" + "copper group element atom" + "endocrine disruptor" + "antiplasmodial drug" + "inhibitor" + "phosphorus molecular entity" + "s-block molecular entity" + "quinacrine mustard" + "topoisomerase inhibitor" + "elemental fluorine" + "fluoronium" + "monovalent inorganic anion" + "EC 2.7.* (P-containing group transferase) inhibitor" + "polar aprotic solvent" + "toluene" + "analgesic" + "monoatomic chlorine" + "xenobiotic metabolite" + "sulfites" + "deoxyribonucleic acid" + "EC 2.* (transferase) inhibitor" + "antioxidant" + "arenesulfonic acid" + "organic aromatic compound" + "phosphoric acids" + "fluoride salt" + "halohydrocarbon" + "organofluorine compound" + "metalloid atom" + "carboxylic acid dianion" + "N-(2-chloroethyl)-N'-(6-chloro-2-methoxyacridin-9-yl)-N-ethylpropane-1,3-diamine" + "nitroso group" + "cisplatin" + "phosphoramide" + "carbamimidoylazanium" + "prokaryotic metabolite" + "naphthalenes" + "inorganic sodium salt" + "9H-purine" + "hesperetin(1-)" + "nutraceutical" + "heterobicyclic compound" + "refrigerant" + "lepton" + "diethyl sulfate" + "sulfide" + "EC 5.99.* (other isomerases) inhibitor" + "divalent metal cation" + "EC 1.5.1.3 (dihydrofolate reductase) inhibitor" + "organosulfonate oxoanion" + "phenazines" + "halogen molecular entity" + "vitamin (role)" + "nutrient" + "carbohydrate" + "monocyclic arene" + "alkaloid" + "EC 5.* (isomerase) inhibitor" + "peptide" + "disaccharide" + "heteropolycyclic compound" + "elemental sodium" + "ketone" + "D-alpha-amino acid anion" + "heteroarene" + "plant metabolite" + "sulfite salt" + "neurotransmitter agent" + "saturated fatty acid" + "sulfonic acid derivative" + "pnictogen oxoanion" + "phosphate ion" + "macronutrient" + "caffeine" + "carbonic acid" + "organooxygen compound" + "role" + "sulfate salt" + "non-proteinogenic amino acid" + "human xenobiotic metabolite" + "glycosyl compound" + "anaesthetic" + "alpha-amino-acid cation" + "pesticide" + "oxoacid derivative" + "platinum coordination entity" + "polyatomic ion" + "L-alpha-amino acid" + "EC 6.* (ligase) inhibitor" + "environmental contaminant" + "glycoside" + "organodiyl group" + "prodrug" + "tetrahydrofuranol" + "haloalkane" + "hadron" + "hydrides" + "naphthol" + "function"@en + "organic heteropolycyclic compound" + "alkali metal cation" + "iminium ion" + "bromine molecular entity" + "macromolecule" + "carbamoyl group" + "formic acid" + "dibenzopyridine" + "L-phenylalaninate" + "hydrogen molecular entity" + "p-quinones" + "phosphorus oxoacids and derivatives" + "deoxyribonucleoside" + "sulfur molecular entity" + "EC 2.7.11.* (protein-serine/threonine kinase) inhibitor" + "1,1-diunsubstituted alkanesulfonate" + "tertiary amino compound" + "inorganic oxide" + "2-fluoroethyl methanesulfonate" + "butanediols" + "2-naphthol" + "bis(2-chloroethyl) sulfide" + "arenesulfonate oxoanion" + "metal allergen" + "hormone receptor modulator" + "amide" + "N-acyl-amino acid" + "alkyl sulfate(1-)" + "transition element atom" + "ammonia" + "vitamin B9" + "dibenz[a,h]anthracene" + "cysteine derivative" + "EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitor" + "aromatic ether" + "chlorine atom" + "ethane" + "D-glutamate(2-)" + "alkanesulfonate oxoanion" + "membrane transport modulator" + "mancude ring" + "organic group" + "ortho-fused compound" + "non-proteinogenic amino acid derivative" + "inorganic molecular entity" + "sodium(1+)" + "sulfurous acid derivative" + "algal metabolite" + "fundamental particle" + "benzenes" + "2-chloroethyl methanesulfonate" + "carbonate" + "hycanthone" + "L-phenylalanine zwitterion" + "oxirane" + "formaldehyde" + "hydroxides" + "organic cation" + "psychotropic drug" + "D-glutamic acid" + "isourea" + "antimalarial" + "carboxy group" + "actinomycin" + "fluorine molecular entity" + "glutamic acid derivative" + "methanesulfonate" + "organic heterocyclic compound" + "propellant" + "pnictogen oxoacid" + "inorganic group" + "sensitiser" + "phosphorus atom" + "antimetabolite" + "chalcogen molecular entity" + "inorganic cation" + "styrylquinoline" + "vesicant" + "divalent inorganic cation" + "polycyclic hydrocarbon" + "divalent inorganic anion" + "pteroic acids" + "folic acids" + "triton" + "7-bromomethyl-12-methyltetraphene" + "organic anion" + "antiviral drug" + "sulfur oxoacid derivative" + "carboximidic acid" + "arene" + "chalcogen oxoanion" + "methanesulfonate ester" + "ammonium" + "organic sulfide" + "triazines" + "carbamate" + "N-nitrosodimethylamine" + "acridine" + "sulfur-containing amino-acid anion" + "carbobicyclic compound" + "nucleotide residue" + "benzoates" + "mitomycin" + "fagaronine" + "trivalent inorganic anion" + "folates" + "main group element atom" + "monoatomic monoanion" + "chalcogen oxoacid" + "halide" + "aminobenzoic acid" + "peptide zwitterion" + "Bronsted base" + "platinum group metal atom" + "flavanones" + "oxopurine" + "independent continuant"@en + "inorganic sulfate salt" + "imidazopyrimidine" + "adjuvant" + "hydrogenborate" + "urea" + "diethyl ether" + "onium cation" + "antimitotic" + "guanidine" + "amino-acid anion" + "benzenediol" + "heteromonocyclic compound" + "hydridonitrate(2-)" + "specifically dependent continuant"@en + "naphthalenesulfonic acid" + "organic cyclic compound" + "carbon oxoacid" + "organosulfonic acid" + "geroprotector" + "group" + "phosphoric acid" + "ryanodine receptor agonist" + "sulfanylmethyl group" + "alkali metal molecular entity" + "antibacterial agent" + "organic sulfate" + "diuretic" + "trimethylxanthine" + "nitroso compound" + "aromatic carboxylate" + "straight-chain saturated fatty acid" + "tritiated compound" + "aldehyde" + "phosphate(3-)" + "teratogenic agent" + "sulfite" + "carbon oxoanion" + "organosulfate oxoanion" + "DNA polymerase inhibitor" + "1,2-dibromoethane" + "transition element coordination entity" + "flour treatment agent" + "organic halide salt" + "xanthine" + "pharmaceutical" + "glycan" + "composite particle" + "epoxide" + "quinolines" + "alkali metal atom" + "alpha-amino acid" + "aryl group" + "astringent" + "univalent carboacyl group" + "fused compound" + "guanidinium" + "organic heterobicyclic compound" + "nucleoside" + "flavonoid" + "hydrogen atom" + "pyrimidines" + "p-p'-N,N-di(2-chloroethyl)aminophenoxyphenylalanine" + "sulfur-containing amino acid" + "aliphatic sulfide" + "aromatic carboxylic acid" + "fatty acid anion" + "organic molecule" + "carbotricyclic compound" + "aprotic solvent" + "material entity"@en + "ferroptosis inducer" + "cyclic ether" + "butane" + "azanide" + "organochalcogen compound" + "flavanone glycoside" + "carboxylic acid anion" + "micronutrient" + "acceptor" + "EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor" + "dihydroxyflavanone" + "N-acyl-L-alpha-amino acid" + "mononuclear parent hydride" + "pyrimidine ribonucleosides" + "2-aminopurines" + "carboacyl group" + "emetic" + "glycol ether" + "quinone" + "EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor" + "short-chain fatty acid anion" + "benzophenanthridine" + "acid" + "sulfur oxoacid" + "coordination entity" + "polyatomic entity" + "sulfur atom" + "bicyclic compound" + "nitro compound" + "proteinogenic amino acid derivative" + "inorganic anion" + "phenols" + "organic heterotetracyclic compound" + "molecular entity" + "application" + "3H-purine" + "boric acids" + "protic solvent" + "tretamine" + "azirinopyrroloindole" + "Saccharomyces cerevisiae metabolite" + "antimicrobial drug" + "alkyl sulfate" + "purines" + "ethyl sulfide" + "central nervous system drug" + "bromine atom" + "carbamate ester" + "chloride salt" + "azacycloalkane" + "fluorine atom" + "Janus Green B chloride" + "nucleon" + "phenylalaninium" + "Daphnia metabolite" + "organic fundamental parent" + "polycyclic compound" + "polynucleotide" + "water-soluble vitamin (role)" + "organic amino compound" + "inorganic ion" + "monoatomic dication" + "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor" + "pteroic acid" + "nickel group molecular entity" + "quinhydrone" + "methylxanthine" + "rhamnosylglucoside" + "pyrimidine 2'-deoxyribonucleoside" + "N-nitro compound" + "N-ethyl-N-nitrosourea" + "sulfur oxide" + "organosulfur compound" + "antinematodal drug" + "4-amino-3-hydroxynaphthalene-1-sulfonic acid" + "imidic acid" + "chromopeptide" + "L-glutamate(2-)" + "organic chloride salt" + "volatile organic compound" + "nematicide" + "carbocyclic compound" + "organonitrogen heterocyclic compound" + "monocarboxylic acid anion" + "anion" + "colchicine" + "glutamate(1-)" + "monocyclic hydrocarbon" + "drug allergen" + "hydrogensulfate" + "amidine" + "chloroalkane" + "pteroate" + "boron atom" + "human metabolite" + "s-block element atom" + "boron group element atom" + "elemental hydrogen" + "sodium hydrogensulfite" + "EC 3.5.1.4 (amidase) inhibitor" + "heteroatomic molecular entity" + "MRI contrast agent" + "aminobenzoate" + "azane" + "elemental molecular entity" + "1-benzopyran" + "nucleoside residue" + "dicarboxylic acids and O-substituted derivatives" + "p-N,N-bis(2-chloroethyl)amino-L-phenylalanine" + "platinum" + "chalcogen" + "inorganic salt" + "occurrent"@en + "nitrogen mustard" + "photosensitizing agent" + "abnormal jumping" + "decreased body size" + "decreased rate of proboscis extension reflex"@en + "abnormal cell growth" + "decreased size"@en + "population of cells"@en + "abnormal optomotor response" + "increased rate of courtship behavior"@en + "lethal - all die during prepupal stage"@en + "lethal - all die before end of prepupal stage"@en + "cell lethal" + "abnormal stress response" + "decreased rate of flight behavior"@en + "abnormal neuroanatomy" + "abnormal endomitotic cell cycle" + "female fertile" + "terminal phenotype" + "abnormal behavior" + "decreased efficacy of short-term memory"@en + "increased rate of feeding behavior"@en + "lethal - all die during first instar larval stage"@en + "abnormal song" + "abnormal developmental rate" + "abnormal cell adhesion" + "majority die during immature adult stage"@en + "decreased cell number" + "increased rate of mating behavior"@en + "lethal - all die before end of second instar larval stage"@en + "decreased cell death" + "abnormal body size" + "increased rate of phototaxis"@en + "increased rate of flight behavior"@en + "decreased occurrence of cell division" + "abnormal visual behavior" + "increased rate of adult walking behavior"@en + "lethal - all die before end of pupal stage"@en + "abnormal DNA repair" + "abnormal cell number" + "majority die during embryonic stage"@en + "population of Drosophila"@en + "partially lethal - majority die" + "abnormal long-term memory"@en + "sterile" + "abnormal diapause" + "abnormal sex-determination" + "some die during first instar larval stage"@en + "melanotic mass phenotype" + "abnormal cell cycle" + "abnormal temperature response" + "abnormal gravitaxis" + "abnormal touch perception" + "decreased rate of feeding behavior"@en + "abnormal chemosensory behavior" + "decreased efficacy of medium-term memory"@en + "neurogenic phenotype" + "abnormal cell polarity" + "auxotroph" + "lethal - all die before end of larval stage"@en + "increased rate of cell adhesion"@en + "majority die during third instar larval stage"@en + "hypoplasia" + "increased rate of locomotory behavior"@en + "photoperiod response variant" + "abnormal flight" + "some die during pharate adult stage"@en + "decreased rate of locomotory behavior"@en + "decreased fecundity" + "increased cell size" + "abnormal sleep" + "abnormal medium-term memory"@en + "increased cell growth rate" + "melanotic necrosis" + "decreased rate of movement" + "female sterile germline-dependent" + "abnormal adult walking behavior"@en + "abnormal osmotic stress response" + "decreased rate of jump response"@en + "enhancer of variegation" + "radiation resistant" + "decreased rate of cell adhesion"@en + "decreased efficacy of long-term memory"@en + "chemical sensitive" + "majority die during second instar larval stage"@en + "lethal - all die during second instar larval stage"@en + "some die during prepupal stage"@en + "viable" + "flightless" + "decreased rate of grooming behavior"@en + "abnormal cell size" + "abnormal jump response" + "homeotic" + "bang sensitive" + "abnormal cell migration" + "abnormal eclosion" + "increased efficacy of learning"@en + "male semi-fertile" + "decreased speed of aging" + "visible" + "even pair-rule phenotype" + "grandchildless" + "increased efficacy of anesthesia-resistant memory"@en + "decreased efficacy of memory"@en + "lethal - all die during third instar larval stage"@en + "abnormal taste perception" + "abnormal wound healing" + "increased mortality during development" + "some die during embryonic stage"@en + "decreased rate of adult locomotory behavior"@en + "some die during immature adult stage"@en + "embryonic/larval segmentation phenotype" + "increased mortality" + "abnormal cell shape" + "male sterile germline-dependent" + "increased rate of larval locomotory behavior"@en + "abnormal cell death" + "female semi-fertile" + "abnormal learning" + "abnormal oviposition" + "abnormal eye color" + "semi-sterile" + "abnormal reproductive diapause" + "abnormal body weight"@en + "some die during second instar larval stage"@en + "abnormal cold stress response" + "paralytic" + "increased efficacy of memory"@en + "abnormal smell perception" + "abnormal adult locomotory behavior"@en + "abnormal meiotic cell cycle" + "male sterile soma-dependent" + "partially lethal"@en + "abnormal oxidative stress response" + "abnormal visual perception" + "some die during pupal stage"@en + "decreased rate of adult walking behavior"@en + "abnormal eclosion rhythm" + "female sterile" + "increased body weight"@en + "abnormal pain response" + "decreased cell growth rate" + "abnormal immune response" + "some die during larval stage"@en + "increased rate of chemosensory behavior"@en + "lethal - all die during embryonic stage"@en + "abnormal anesthesia-resistant memory"@en + "female sterile soma-dependent" + "abnormal larval locomotory behavior"@en + "decreased cell size" + "segment polarity phenotype" + "abnormal mitotic cell cycle" + "decreased rate of copulation"@en + "radiation sensitive" + "increased sleep"@en + "abnormal mating" + "increased efficacy of medium-term memory"@en + "abnormal aging" + "abnormal feeding behavior" + "decreased rate of larval locomotory behavior"@en + "abnormal mating behavior" + "majority die during P-stage"@en + "atrophy" + "increased rate of movement" + "increased rate of copulation"@en + "decreased efficacy of learning"@en + "abnormal phototaxis" + "majority die during pupal stage"@en + "abnormal circadian behavior" + "abnormal short-term memory"@en + "odd pair-rule phenotype" + "jumpless" + "Minute" + "electrophoretic variant" + "decreased efficacy of anesthesia-resistant memory"@en + "increased efficacy of short-term memory"@en + "abnormal thermotaxis" + "abnormal tarsal response" + "lethal - all die during immature adult stage"@en + "decreased rate of mating behavior"@en + "pair rule phenotype" + "non-enhancer of variegation" + "semi-fertile" + "abnormal size" + "increased speed of aging" + "modifier of variegation" + "abnormal locomotor behavior" + "abnormal memory" + "increased rate of jump response"@en + "increased size"@en + "lethal - all die during pupal stage"@en + "lethal - all die during pharate adult stage"@en + "obsolete dosage compensation defective" + "abnormal planar polarity" + "abnormal auditory perception" + "partially lethal - majority live" + "decreased rate of courtship behavior"@en + "abnormal neurophysiology" + "fertile" + "long lived" + "decreased sleep"@en + "abnormal proboscis extension reflex" + "obsolete exocytosis defective" + "lethal - all die during P-stage"@en + "abnormal mating rhythm" + "male semi-sterile" + "increased rate of adult locomotory behavior"@en + "abnormal body color" + "abnormal courtship behavior" + "lethal - all die before end of P-stage"@en + "increased cell death" + "female semi-sterile" + "increased rate of proboscis extension reflex"@en + "decreased body weight"@en + "increased occurrence of cell division" + "abnormal heat stress response" + "majority die during pharate adult stage"@en + "abnormal circadian rhythm" + "some die during third instar larval stage"@en + "abnormal grooming behavior" + "abnormal starvation stress response" + "abnormal axis specification" + "abnormal copulation" + "lethal" + "increased body size" + "gap phenotype" + "abnormal cytokinesis" + "obsolete tumorigenic" + "short lived" + "abnormal sensory perception" + "obsolete endocytosis defective" + "abnormal dorsal/ventral axis specification" + "male sterile" + "non-suppressor of variegation" + "phenotype" + "lethal - all die before end of first instar larval stage"@en + "decreased rate of phototaxis"@en + "majority die during first instar larval stage"@en + "abnormal locomotor rhythm" + "increased rate of grooming behavior"@en + "abnormal touch response" + "uncoordinated" + "majority die during prepupal stage"@en + "decreased rate of chemosensory behavior"@en + "increased fecundity" + "some die during P-stage"@en + "increased cell number" + "obsolete lethal - all die before end of embryonic stage"@en + "hyperplasia" + "chemical resistant" + "neoplasia" + "suppressor of variegation" + "male fertile" + "increased efficacy of long-term memory"@en + "majority die during larval stage"@en + "lethal - all die during larval stage"@en + "abnormal hatching behavior" + "wild-type" + "CB3007" + "melphalan" + "MR" + "DES" + "TALE endonuclease" + "p pi25.7wc" + "conditional qualifier" + "Periodicals" + "nucleobase analogue" + "protein detection tag" + "1,1'-thiobis(2-chloroethane)" + "mustard gas" + "sulfur mustard" + "CB1735" + "lucanthone" + "1-diethylaminoethylethylamino-4-methyl-thioxanthenone" + "1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one" + "BCE" + "2-chloro-N-(2-chloroethyl)-N-methylethanamine" + "mechlorethamine" + "HN2" + "CB1414" + "dimethylmyleran" + "CB2348" + "1,4-dimethanesulfonoxy-1:4-dimethylbutane" + "1,2:7,8-diepoxyoctane" + "cis-dichlorodiammineplatinum(II)" + "null" + "amorph" + "in vitro construct | coding region fusion" + "CB3086" + "antimorph" + "in vitro construct | minigene" + "CB3026" + "zinc finger nuclease" + "EI" + "CB1356" + "p pi25.1" + "intercalating agents" + "intercalating agent" + "intercalating ligands" + "intercalators" + "agente intercalante" + "copper(2+) sulfate" + "DCE" + "clone qualifier" + "MRF31.1" + "CB1592" + "RNA detection tag" + "MRF23.5" + "in vitro construct | regulatory fusion" + "NDEA" + "Belarusian" + "CRISPR/Cas9 endonuclease" + "Janus green B chloride" + "Harvard Medical School Exelixis Drosophila Collection" + "7-bromomethyl-12-methyltetraphene" + "7-bromomethyl 12 methyl benzalpha anthracine" + "CD-ROM" + "CB1540" + "MMS" + "DMN" + "hycanthone mesylate" + "HMS" + "radium" + "in vitro construct | genomic fragment" + "restriction fragment length polymorphism" + "Cre recombinase" + "Szeged" + "gene product detection tag" + "MRT007" + "CB2628" + "DEB" + "erythritol anhydride" + "benzo[a]pyrene" + "2,5,-bisethylene-imine-1,4-benzoquinone" + "HMPA" + "heat-treatment" + "ENU" + "N-ethyl-N-nitrosourea" + "hesperidin" + "Jumpstarter" + "Js" + "CB1522" + "SCEI endonuclease" + "Kyoto stock center" + "Kyoto" + "DGRC" + "DBE" + "N-methyl-N-nitrosourea" + "MNU" + "Tucson" + "Drosophila species stock center" + "CB2511" + "BSC" + "BDSC" + "CB1348" + "Hobo transposase source" + "Hobbled1" + "CB305" + "automatic genome annotation" + "deletion kit stock" + "MRh12" + "in vitro construct | deletion" + "CB1246" + "TEM" + "tretamine" + "HMM" + "altretamine" + "cold-treatment" + "environmental treatment" + "neomorph" + "CB3025" + "CB1506" + "2-methoxy-6-dichloro-9-(3-ethyl-2-chloroethyl-aminopropylamino)acridine-dihydrochloride" + "privately distributed report" + "EMS" + "CB1528" + "2-methoxy-6-[3-(ethyl-2-chloroethyl)aminopropylamino]acridine" + "ICR 100" + "site-specific DNA nuclease" + "1-methoxy-N-nitrosodiethylamine" + "MNNG" + "NNG" + "terminal" + "Artavanis-Tsakonas laboratory" + "busulfan" + "CB2041" + "IR" + "CB2058" + "in vitro construct | site directed mutagenesis" + "hypermorph" + "CB3034" + "ethylene oxide" + "oxirane" + "dominant negative" + "in vitro construct | RNAi" + "90-100% egg length" + "in vitro construct | amino acid replacement" + "inhibiteur enzymatique" + "inhibidores enzimaticos" + "inhibidor enzimatico" + "inhibiteurs enzymatiques" + "enzyme inhibitors" + "enhancer detection tool" + "cysteine cation" + "1-carboxy-2-mercaptoethanaminium" + "H2cys(+)" + "L-alpha-amino acid zwitterions" + "an L-alpha-amino acid" + "tubulin modulators" + "hycanthone monomethanesulphonate" + "hycanthone monomesylate" + "N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulfonate" + "N,N-diethyl-2-{[4-(hydroxymethyl)-10-oxo-10H-dibenzo[b,e]thiopyran-1-yl]amino}ethanaminium methanesulfonate" + "hycanthone monomethanesulfonate" + "hycanthone methanesulphonate" + "hycanthone methanesulfonate" + "alpha-amino acid anions" + "alpha-amino-acid anions" + "Ura" + "Urazil" + "2,4(1H,3H)-pyrimidinedione" + "U" + "2,4-Dioxopyrimidine" + "2,4-Pyrimidinedione" + "butanediols" + "insecticides" + "Carbamidsaeure" + "Aminoameisensaeure" + "Carbamate" + "Aminoformic acid" + "1-(aminocarbonyl)-1-methyl-2-oxohydrazine" + "N-nitroso-N-methylurea" + "N-nitroso-N-methylcarbamide" + "MNU" + "NMH" + "nitrosomethylurea" + "N-Methyl-N-nitrosoharnstoff" + "N-methyl-N-nitrosouree" + "N-Nitroso-N-methylharnstoff" + "Methylnitrosoharnstoff" + "N-nitrosomethylurea" + "N-methyl-N-nitrosocarbamide" + "NMU" + "methylnitrosouree" + "N-nitroso-N-methyluree" + "Methylnitrosourea" + "1-nitroso-1-methylurea" + "2,5,-bis(ethyleneimine)-1,4-benzoquinone" + "2,5-di(ethyleneimino)-1,4-benzoquinone" + "2,5-bis(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione" + "2,5-bis-ethyleniminobenzoquinone" + "ethylenimine quinone" + "3,6-diaziridinyl-1,4-benzoquinone" + "2,5,-bisethylene-imine-1,4-benzoquinone" + "2,5-bis(1-aziridinyl)-p-benzoquinone" + "2,5-bisethyleneiminebenzoquinone" + "2,5-bis(aziridino)benzoquinone" + "2,5-Bisaethyleniminobenzochinon-1,4" + "TW 13" + "2,5-bis(1-aziridynyl)benzoquinone" + "DZQ" + "2,5-bis(ethyleneimino)-1,4-benzoquinone" + "2,5-bis(aziridino)-1,4-benzoquinone" + "2,5-diaziridinyl-1,4-benzoquinone" + "bromoorganic compound" + "organobromide compounds" + "an organobromine molecule" + "organobromide" + "organobromide compound" + "organobromine compounds" + "organobromides" + "proteinogenic amino-acid side-chains" + "canonical amino-acid side-chains" + "canonical amino-acid side-chain" + "proteinogenic amino-acid side-chain" + "proteinogenic amino-acid side-chain groups" + "a carboxylic ester" + "carboxylic acid esters" + "a D-alpha-amino acid" + "D-alpha-amino acid zwitterions" + "isotopically modified compounds" + "organisches Salz" + "organic salts" + "transition element molecular entities" + "transition metal molecular entity" + "sulfuric acid derivative" + "sulphates" + "Amidines" + "carboxamidines" + "1-hydroxy-2-methoxyethane" + "2-hydroxyethyl methyl ether" + "Methyl cellosolve" + "HOCH2CH2OCH3" + "2-methoxy-1-ethanol" + "beta-methoxyethanol" + "monomethyl ethylene glycol ether" + "3-oxa-1-butanol" + "methyl oxitol" + "monocarboxylic acids" + "H2SO3" + "schweflige Saeure" + "S(O)(OH)2" + "[SO(OH)2]" + "acido sulfuroso" + "Sulfite" + "sulphurous acid" + "acide sulfureux" + "short-chain fatty acids" + "SCFA" + "SCFAs" + "Mepacrine" + "2-methoxy-6-chloro-9-diethylaminopentylaminoacridine" + "mepacrine" + "N(4)-(6-chloro-2-methoxy-9-acridinyl)-N(1),N(1)-diethyl-1,4-pentanediamine" + "3-chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine" + "6-chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine" + "antiprotozoal drugs" + "antiprotozoal agents" + "antiprotozoal agent" + "C" + "Carbon" + "carbonium" + "6C" + "Kohlenstoff" + "carbono" + "carbon" + "carbone" + "p-Bis(beta-chloroethyl)aminophenylalanine" + "3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine" + "p-N-Bis(2-chloroethyl)amino-L-phenylalanine" + "p-N,N-bis(2-chloroethyl)amino-L-phenylalanine" + "Phenylalanine nitrogen mustard" + "L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine" + "L-Sarcolysine" + "Phenylalanine mustard" + "p-Di-(2-chloroethyl)amino-L-phenylalanine" + "L-Phenylalanine mustard" + "4-(Bis(2-chloroethyl)amino)-L-phenylalanine" + "L-PAM" + "p-L-Sarcolysin" + "3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine" + "pnictogen hydrides" + "DEN" + "N,N-diethylnitrosamine" + "diethylnitrosoamine" + "N,N-diethylnitrosoamine" + "NDEA" + "DANA" + "Diethylnitrosamine" + "1,1-diethyl-2-oxohydrazine" + "main group molecular entities" + "main group compounds" + "mesylate salts" + "mesylate salt" + "methanesulfonate salts" + "[BO(OH)2](-)" + "H2BO3(-)" + "fundamental metabolites" + "essential metabolite" + "essential metabolites" + "esters" + "N-acyl-D-alpha-amino acid(1-)" + "an N-acyl-D-amino acid" + "etiopathogenetic role" + "etiopathogenetic agent" + "diaminomethaniminium ions" + "guanidinium ions" + "diaminomethaniminium ion" + "polycyclic heteroarenes" + "e-" + "Elektron" + "beta-particle" + "e" + "beta" + "negatron" + "beta(-)" + "e(-)" + "organic acids" + "sodium salts" + "Natriumsalze" + "Natriumsalz" + "oxoacids of phosphorus" + "phosphorus oxoacids" + "Oxosaeure des Phosphors" + "organic heterocyclic fundamental parents" + "heterocyclic organic fundamental parents" + "heterocyclic fundamental parent" + "explosives chemical" + "explosive material" + "explosive compounds" + "explosives" + "explosive compound" + "explosives chemicals" + "diagnostic aid" + "alkylsulfonic acids" + "alkanesulfonic acids" + "a quinone" + "para-benzoquinones" + "p-benzoquinones" + "cupric ion" + "Cu(II)" + "Cu2+" + "copper, ion (Cu2+)" + "Cu(2+)" + "COPPER (II) ION" + "copper(II) cation" + "acides nucleiques" + "Nukleinsaeure" + "Nukleinsaeuren" + "acidos nucleicos" + "acido nucleico" + "acide nucleique" + "NA" + "mineral acids" + "mineral acid" + "inorganic acids" + "amino acids" + "Aminokarbonsaeure" + "Aminosaeure" + "Aminocarbonsaeure" + "Fluoride" + "fluorure d'hydrogene" + "HF" + "[HF]" + "Hydrogenfluorid" + "hydrofluoric acid" + "Fluorwasserstoff" + "chalcocarbonic acids" + "Sulfonsaeure" + "acide sulfonique" + "[SHO2(OH)]" + "sulphonic acid" + "HSHO3" + "allergene" + "alergeno" + "allergenic agent" + "organic hydrides" + "antineoplastic" + "anticancer agents" + "anticancer agent" + "antineoplastic agents" + "cytostatic" + "benzenoid compound" + "benzenoid aromatic compounds" + "aryl amines" + "arylamine" + "aryl amine" + "aromatic amines" + "arylamines" + "organic oxo compounds" + "2-amino-6-oxopurine" + "2-Amino-6-hydroxypurine" + "G" + "Gua" + "p-Hydroquinone" + "Quinol" + "Benzene-1,4-diol" + "1,4-Benzenediol" + "1,4-Dihydroxybenzene" + "p-hydroxyphenol" + "p-Benzenediol" + "Eldoquin" + "4-Hydroxyphenol" + "zwitterionic compounds" + "compose zwitterionique" + "compuestos zwitterionicos" + "zwitteriones" + "amino-acid cations" + "amino acid cation" + "Mus musculus metabolite" + "Mus musculus metabolites" + "mouse metabolites" + "nucleobase analog" + "base analog" + "nucleobase analogues" + "base analogs" + "base analogues" + "nucleobase analogs" + "base analogue" + "Tetramethylene bis(methanesulfonate)" + "1,4-Bis(methanesulfonoxy)butane" + "1,4-Dimethanesulfonoxybutane" + "1,4-Butanediol dimethanesulfonate" + "1,4-Dimesyloxybutane" + "phenylpropanoids" + "L-glutamic acid derivatives" + "proagent" + "pro-agents" + "proagents" + "nephrotoxicant" + "agente nefrotoxico" + "S-containing carboxylic acid" + "sulfur-containing carboxylic acids" + "S-containing carboxylic acids" + "mitomycin C" + "Deoxythymidine" + "1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione" + "2'-deoxythymidine" + "dThd" + "thymine 2'-deoxyriboside" + "T" + "2'-deoxy-5-methyluridine" + "5-methyl-2'-deoxyuridine" + "2'-thymidine" + "organic entity" + "organic compounds" + "organic molecular entities" + "addition compounds" + "organic mancude-ring parents" + "organic mancude parents" + "brominated hydrocarbons" + "bromohydrocarbons" + "polyols" + "ryanodine-sensitive calcium-release channel modulator" + "RyR modulator" + "ryanodine-sensitive calcium channel modulator" + "ryanodine receptor modulators" + "ICR 170" + "N-(2-chloroethyl)-N'-(6-chloro-2-methoxy-9-acridinyl)-N-ethyl-1,3-propanediamine dihydrochloride" + "acridine mustard" + "Atomkern" + "nucleo" + "Kern" + "noyau atomique" + "nucleus atomi" + "noyau" + "nuclei" + "nucleo atomico" + "oxoanions of phosphorus" + "phosphorus oxoanions" + "cholinergic agent" + "cholinomimetic" + "cholinergic drugs" + "heterotricyclic compounds" + "organic heterotricyclic compounds" + "dicarboxylic acid anions" + "epsilon PKC inhibitors" + "cyclic monophosphate-dependent protein kinase inhibitors" + "hydroxyalkyl-protein kinase inhibitors" + "CK-2 inhibitor" + "cGMP-dependent protein kinase inhibitors" + "type-2 casein kinase inhibitor" + "casein kinase (phosphorylating) inhibitor" + "p21 activated kinase-1 inhibitor" + "cyclic monophosphate-dependent protein kinase inhibitor" + "p21 activated kinase-1 inhibitors" + "mitogen-activated S6 kinase inhibitors" + "serine/threonine protein kinase inhibitors" + "calcium/phospholipid-dependent protein kinase inhibitor" + "serine(threonine) protein kinase inhibitors" + "serine kinase inhibitors" + "casein kinase II inhibitors" + "BR serine/threonine-protein kinase 2 inhibitor" + "twitchin kinase inhibitor" + "Wee 1-like kinase inhibitors" + "protein-serine kinase inhibitor" + "protein-cysteine kinase inhibitor" + "calcium/phospholipid-dependent protein kinase inhibitors" + "HIPK2 inhibitor" + "Raf-1 inhibitors" + "p82 kinase inhibitor" + "serine kinase inhibitor" + "ATP:protein phosphotransferase (non-specific) inhibitor" + "type-2 casein kinase inhibitors" + "ATP:protein phosphotransferase (non-specific) inhibitors" + "protein serine kinase inhibitor" + "protein kinase CK2 inhibitor" + "glycogen synthase kinase inhibitor" + "protein-aspartyl kinase inhibitors" + "EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors" + "casein kinase 2 inhibitor" + "AP50 kinase inhibitor" + "CKII inhibitors" + "STK32 inhibitors" + "epsilon PKC inhibitor" + "BR serine/threonine-protein kinase 2 inhibitors" + "p82 kinase inhibitors" + "protein kinase (phosphorylating) inhibitor" + "M phase-specific cdc2 kinase inhibitors" + "PAK-1 inhibitor" + "dsk1 inhibitor" + "glycogen synthase a kinase inhibitor" + "CKI inhibitor" + "EC 2.7.11.1 inhibitor" + "Hpr kinase inhibitors" + "WEE1Hu inhibitors" + "casein kinase II inhibitor" + "protein-serine kinase inhibitors" + "PKA inhibitors" + "ribosomal protein S6 kinase II inhibitors" + "T-antigen kinase inhibitors" + "non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitors" + "protein serine-threonine kinase inhibitors" + "protein kinase (phosphorylating) inhibitors" + "cyclin-dependent kinase inhibitors" + "casein kinase I inhibitors" + "serine protein kinase inhibitors" + "protein kinase p58 inhibitors" + "cyclic AMP-dependent protein kinase A inhibitor" + "cAMP-dependent protein kinase inhibitor" + "protein kinase p58 inhibitor" + "hydroxyalkyl-protein kinase inhibitor" + "serine protein kinase inhibitor" + "CKI inhibitors" + "calcium-dependent protein kinase C inhibitors" + "phosphorylase b kinase kinase inhibitor" + "cAMP-dependent protein kinase inhibitors" + "ATP-protein transphosphorylase inhibitors" + "serine(threonine) protein kinase inhibitor" + "glycogen synthase kinase inhibitors" + "non-specific serine/threonine protein kinase (EC 2.7.11.1) inhibitor" + "calcium-dependent protein kinase C inhibitor" + "M phase-specific cdc2 kinase inhibitor" + "Prp4 protein kinase inhibitors" + "Wee 1-like kinase inhibitor" + "MKNK2 inhibitor" + "ribosomal protein S6 kinase II inhibitor" + "PAK1 inhibitor" + "protein phosphokinase inhibitor" + "threonine-specific protein kinase inhibitors" + "betaIIPKC inhibitor" + "Raf kinase inhibitors" + "cGMP-dependent protein kinase inhibitor" + "protein phosphokinase inhibitors" + "protein serine kinase inhibitors" + "casein kinase I inhibitor" + "glycogen synthase a kinase inhibitors" + "casein kinase inhibitor" + "HIPK2 inhibitors" + "PAK1 inhibitors" + "ATP-protein transphosphorylase inhibitor" + "serine-specific protein kinase inhibitors" + "protein-aspartyl kinase inhibitor" + "casein kinase inhibitors" + "serine/threonine protein kinase inhibitor" + "Prp4 protein kinase inhibitor" + "dsk1 inhibitors" + "PKA inhibitor" + "cyclin-dependent kinase inhibitor" + "STK32 inhibitor" + "serine-specific protein kinase inhibitor" + "twitchin kinase inhibitors" + "protein kinase A inhibitor" + "T-antigen kinase inhibitor" + "protein kinase CK2 inhibitors" + "protein kinase A inhibitors" + "ribosomal S6 protein kinase inhibitors" + "A-kinase inhibitor" + "cyclic nucleotide-dependent protein kinase inhibitor" + "non-specific serine/threonine protein kinase inhibitors" + "cAMP-dependent protein kinase A inhibitor" + "protein-serine/threonine kinase inhibitors" + "cyclic AMP-dependent protein kinase A inhibitors" + "MKNK2 inhibitors" + "Hpr kinase inhibitor" + "Wee-kinase inhibitors" + "cyclic AMP-dependent protein kinase inhibitor" + "CK-2 inhibitors" + "protein-cysteine kinase inhibitors" + "mitogen-activated S6 kinase inhibitor" + "CKII inhibitor" + "Raf-1 inhibitor" + "cyclic AMP-dependent protein kinase inhibitors" + "non-specific serine/threonine protein kinase inhibitor" + "Raf kinase inhibitor" + "protein glutamyl kinase inhibitors" + "protein glutamyl kinase inhibitor" + "EC 2.7.11.1 inhibitors" + "betaIIPKC inhibitors" + "Wee-kinase inhibitor" + "casein kinase (phosphorylating) inhibitors" + "protein serine-threonine kinase inhibitor" + "casein kinase 2 inhibitors" + "A-kinase inhibitors" + "WEE1Hu inhibitor" + "threonine-specific protein kinase inhibitor" + "PAK-1 inhibitors" + "cyclic nucleotide-dependent protein kinase inhibitors" + "phosphorylase b kinase kinase inhibitors" + "cAMP-dependent protein kinase A inhibitors" + "AP50 kinase inhibitors" + "ribosomal S6 protein kinase inhibitor" + "grupo alquilo" + "groupe alkyle" + "grupos alquilo" + "pteroyl-L-glutamate" + "folate" + "pteroylglutamate" + "pteroyl-L-monoglutamate" + "metal sulfates" + "B-group vitamin" + "B vitamins" + "B-group vitamins" + "vitamin B" + "transition metal cation" + "transition element cations" + "boron oxoanions" + "EMS" + "ethyl methanesulphonate" + "methylsulfonic acid ethyl ester" + "ethyl mesylate" + "methylsulfonic acid, ethyl ester" + "aziridinium ions" + "a polar amino acid" + "glutamine synthetase inhibitor" + "L-glutamine synthetase inhibitor" + "glutamate--ammonia ligase inhibitor" + "glutamylhydroxamic synthetase inhibitors" + "glutamylhydroxamic synthetase inhibitor" + "glutamate--ammonia ligase inhibitors" + "L-glutamine synthetase inhibitors" + "L-glutamate:ammonia ligase (ADP-forming) inhibitor" + "L-glutamate:ammonia ligase (ADP-forming) inhibitors" + "glutamine synthetase inhibitors" + "glutamate--ammonia ligase (EC 6.3.1.2) inhibitors" + "EC 6.3.1.2 inhibitors" + "EC 6.3.1.2 inhibitor" + "glutamate--ammonia ligase (EC 6.3.1.2) inhibitor" + "EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors" + "biological function" + "glutamic acid dianion" + "benzophenanthridine alkaloids" + "chemosterilants" + "microbicide" + "antimicrobials" + "Antibiotika" + "antimicrobial" + "microbicides" + "antibiotics" + "Antibiotikum" + "antimicrobial agents" + "antibiotique" + "antibiotic" + "oxiacids" + "oxy-acids" + "oxyacids" + "oxo acid" + "oxacids" + "isocyclic compounds" + "Cu" + "cuprum" + "29Cu" + "Copper" + "Kupfer" + "cobre" + "copper" + "cuivre" + "2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide" + "actinomycin C1" + "Dactinomycin" + "ActD" + "actinomycin IV" + "dmso" + "sulfinylbis(methane)" + "DMSO" + "Dimethylsulfoxid" + "S(O)Me2" + "methylsulfinylmethane" + "(CH3)2SO" + "dimethyl sulfur oxide" + "dimethyl sulphoxide" + "polar amino-acids" + "polar amino-acid" + "polar amino acids" + "atomic fluorine" + "cyclic hydrocarbons" + "copper group molecular entities" + "free-radical scavenger" + "free radical scavengers" + "eukaryotic metabolites" + "L-phenylalanine derivatives" + "triamino-1,3,5-triazines" + "heterocycle" + "compuestos heterociclicos" + "compuesto heterociclico" + "heterocyclic compounds" + "sodium" + "11Na" + "sodio" + "natrium" + "Natrium" + "Na" + "analeptic agent" + "CNS stimulant" + "analeptics" + "central stimulant" + "analeptic" + "analeptic drug" + "glutamine family amino acids" + "pyrimidones" + "(2R)-2-ammoniopentanedioate" + "D-glutamate" + "D-glutamic acid monoanion" + "nitrogen hydrides" + "fenilalanina" + "alpha-Amino-beta-phenylpropionic acid" + "F" + "DL-Phenylalanine" + "Phenylalanin" + "PHE" + "Daphnia magna metabolites" + "1,4-dimethylbusulfan" + "2,5-dimethanesulfomyloxyhexane" + "2,5-hexanediol dimethylsulfonate" + "dimethylbusulfan" + "2,5-hexanediol dimesylate" + "1,4-dimethanesulfonoxy-1,4-dimethylbutane" + "1,4-dimethylmyleran" + "1,4-bis(methylsulfonyloxy)-1,4-dimethylbutane" + "DMM" + "organosulfur heterocyclic compounds" + "heterocyclic organosulfur compounds" + "pnictogen molecular entities" + "-NO2" + "HMPA" + "hexamethylphosphoramide" + "HMPT" + "hexamethylphosphoric acid triamide" + "HEMPA" + "Hexamethylphosphoramid" + "phosphoric hexamethyltriamide" + "HMPTA" + "phosphoric tris(dimethylamide)" + "phosphoric acid hexamethyltriamide" + "Hexamethylphosphorsaeuretriamid" + "hexamethylorthophosphoric triamide" + "Glutaminic acid" + "2-Aminoglutaric acid" + "Glutaminsaeure" + "Glutamate" + "Glu" + "DL-Glutaminic acid" + "DL-Glutamic acid" + "E" + "cysteine dianion" + "2-amino-3-sulfidopropanoate" + "organic halide" + "organohalogen compounds" + "RX" + "organic halides" + "para-benzoquinone" + "1,4-Benzochinon" + "benzo-1,4-quinone" + "2,5-Cyclohexadiene-1,4-dione" + "p-Benzoquinone" + "p-quinone" + "benzoquinone" + "p-Chinon" + "Quinone" + "Basen" + "Base2" + "Nucleobase" + "bases" + "Base1" + "1-butanecarboxylic acid" + "Pentanoate" + "valeric acid, normal" + "n-Valeric acid" + "n-BuCOOH" + "n-Pentanoate" + "n-pentanoic acid" + "n-valeric acid" + "pentoic acid" + "Valerate" + "PENTANOIC ACID" + "CH3-[CH2]3-COOH" + "Valeriansaeure" + "propylacetic acid" + "Pentanoic acid" + "Valerianic acid" + "D-phenylalanine derivatives" + "pentanoic acid, ion(1-)" + "n-propylacetate" + "CH3-[CH2]3-COO(-)" + "pentanoate" + "sulfonates" + "[SHO3](-)" + "SHO3(-)" + "3',5,7-Trihydroxy-4'-methoxyflavanone" + "(-)-(S)-hesperetin" + "(-)-hesperetin" + "(2S)-hesperetin" + "(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" + "1-Methyl-3-nitro-1-nitrosoguanidine" + "N-Methyl-N-nitrosonitroguanidin" + "N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide" + "MNNG" + "N'-Nitro-N-nitroso-N-methylguanidine" + "N-Nitroso-N-methyl-N'-nitroguanidine" + "MNG" + "N-Methyl-N-nitroso-N'-nitroguanidine" + "Methylnitronitrosoguanidine" + "1-Nitroso-3-nitro-1-methylguanidine" + "1-Methyl-1-nitroso-3-nitroguanidine" + "H2N-C(OH)=NH" + "carbonamidimidic acid" + "isourea" + "pseudourea" + "HO-C(=NH)-NH2" + "H2N-C(=NH)-OH" + "carbamimic acid" + "Isoharnstoff" + "monocyclic compounds" + "1,2,7,8-Diepoxyoctane" + "1,7-Octadiene diepoxide" + "2,2'-(1,4-Butanediyl)bisoxirane" + "1,2-Epoxy-7,8-epoxyoctane" + "fertilizers" + "fertiliser" + "Fettsaeuren" + "fatty acids" + "acidos grasos" + "acido graso" + "acides gras" + "acide gras" + "Fettsaeure" + "food propellants" + "Type I programmed cell-death inducers" + "Type I cell-death inducer" + "Type I cell-death inducers" + "apoptosis inducers" + "Type I programmed cell-death inducer" + "insect chemosterilants" + "insect chemosterilant" + "insect sterilants" + "food additives" + "H2PO4(-)" + "DIHYDROGENPHOSPHATE ION" + "[PO2(OH)2](-)" + "polyatomic anions" + "nitrogenous group" + "nitrogen-containing group" + "nitrogen groups" + "canonical deoxyribonucleotide residues" + "oxygen molecular entities" + "schistosomicides" + "antischistosoma" + "antischistosomal drug" + "schistosomicide drugs" + "schistosomicide" + "oligosacarido" + "oligosacaridos" + "O-glycosylglycoside" + "O-glycosylglycosides" + "-OH" + "hydroxyl" + "hydroxyl group" + "monoatomic ions" + "Alkylbenzol" + "alkylbenzenes" + "organonitrogens" + "S-oxides" + "sulfoxides" + "Thymin" + "5-Methyluracil" + "2,4-dihydroxy-5-methylpyrimidine" + "Thy" + "5-methyl-2,4(1H,3H)-pyrimidinedione" + "5-methylpyrimidine-2,4(1H,3H)-dione" + "5-methyluracil" + "T" + "nephrotoxins" + "C6H5-CH2-" + "Bn" + "phenylalanine side-chain" + "phenylmethyl" + "organic hydroxy compounds" + "organic alcohol" + "L-alpha-amino carboxylate" + "phosphate" + "INORGANIC PHOSPHATE GROUP" + "HPO4(2-)" + "[P(OH)O3](2-)" + "[PO3(OH)](2-)" + "HYDROGENPHOSPHATE ION" + "hydrogen phosphate" + "gas molecular entities" + "gaseous molecular entities" + "gaseous molecular entity" + "subatomic particles" + "agricultural chemicals" + "agrichemical" + "agrochemicals" + "agrichemicals" + "dicarboxylic acid dianions" + "dicarboxylate" + "dicarboxylates" + "a dicarboxylate" + "aromatic amino-acid anions" + "Nitrogenous compounds" + "nitrogen compounds" + "nitrogen molecular entities" + "mancude-ring organic heterotricyclic parents" + "mancude organic heterotricyclic parents" + "one-carbon compounds" + "solvant" + "solvents" + "Loesungsmittel" + "dimethyleneimine" + "ethylenimine" + "ethyleneimine" + "EI" + "azacyclopropane" + "C-N bond-forming ligase (EC 6.3.*) inhibitors" + "C-N bond-forming ligase inhibitor" + "C-N bond-forming ligase (EC 6.3.*) inhibitor" + "C--N bond-forming ligase inhibitors" + "C--N bond-forming ligase inhibitor" + "EC 6.3.*.* inhibitor" + "C-N bond-forming ligase inhibitors" + "EC 6.3.* inhibitors" + "EC 6.3.* (C-N bond-forming ligase) inhibitorS" + "EC 6.3.* inhibitor" + "EC 6.3.*.* inhibitors" + "ortho-fused polycyclic hydrocarbons" + "oxoacids of boron" + "boron oxoacids" + "-S(O)2(OH)" + "hydroxyflavanones" + "phenolic donors" + "a phenolic donor" + "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor" + "non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors" + "EC 3.5.1.* inhibitor" + "EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors" + "EC 3.5.1.* inhibitors" + "(3H)Thymidine" + "(3)HTdR" + "tritiated thymidines" + "Thymidine-(H-3)" + "oxidoreductase inhibitors" + "EC 1.* inhibitors" + "oxidoreductase (EC 1.*) inhibitors" + "EC 1.* (oxidoreductase) inhibitors" + "oxidoreductase (EC 1.*) inhibitor" + "EC 1.* inhibitor" + "oxidoreductase inhibitor" + "amino acid residue" + "amino-acid residues" + "monoanions" + "acid-ammonia (or amine) ligase inhibitors" + "acid-ammonia (or amine) ligase inhibitor" + "EC 6.3.1.* inhibitor" + "EC 6.3.1.* inhibitors" + "EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors" + "carcinogeno" + "carcinogene" + "agente carcinogeno" + "cancerogene" + "cancerigene" + "carcinogen" + "carcinogenic agents" + "carcinogens" + "organosulfonate esters" + "organosulfonic esters" + "organosulfonate ester" + "RNA-directed DNA polymerase (EC 2.7.7.49) inhibitor" + "RT inhibitors" + "RNA-dependent DNA polymerase inhibitor" + "RNA revertase inhibitors" + "revertase inhibitor" + "RNA-directed DNA polymerase inhibitor" + "RNA-directed DNA polymerase (EC 2.7.7.49) inhibitors" + "RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitor" + "revertase inhibitors" + "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitors" + "RNA-dependent DNA polymerase inhibitors" + "RNA-instructed DNA polymerase inhibitors" + "reverse transcriptase inhibitor" + "deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (RNA-directed) inhibitor" + "telomerase inhibitor" + "EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitors" + "DNA nucleotidyltransferase (RNA-directed) inhibitors" + "EC 2.7.7.49 inhibitors" + "RNA revertase inhibitor" + "RNA-dependent deoxyribonucleate nucleotidyltransferase inhibitors" + "EC 2.7.7.49 inhibitor" + "reverse transcriptase inhibitors" + "RNA-instructed DNA polymerase inhibitor" + "RT inhibitor" + "RNA-directed DNA polymerase inhibitors" + "DNA nucleotidyltransferase (RNA-directed) inhibitor" + "telomerase inhibitors" + "vermifuge" + "antihelminth" + "antihelmintico" + "anthelmintic" + "anthelmintics" + "anthelminthics" + "canonical deoxyribonucleoside residues" + "common 2'-deoxyribonucleoside residues" + "standard deoxyribonucleoside residues" + "common 2'-deoxyribonucleoside residue" + "dN" + "dNuc" + "aminopurines" + "monoatomic entities" + "atomic entity" + "Ethyl carbamate" + "carbamic acid ethyl ester" + "sodium molecular entities" + "sodium compounds" + "methylsulfonic acid" + "Methansulfonsaeure" + "nucleotidyltransferase (EC 2.7.7.*) inhibitors" + "inhibitors of nucleotidyltransferases" + "inhibitor of nucleotidyltransferases" + "inhibitor of nucleotidyltransferases (EC 2.7.7.*)" + "nucleotidyltransferase (EC 2.7.7.*) inhibitor" + "inhibitors of nucleotidyltransferases (EC 2.7.7.*)" + "nucleotidyltransferase inhibitor" + "EC 2.7.7.* (nucleotidyltransferase) inhibitors" + "nucleotidyltransferase inhibitors" + "dietary components" + "dietary component" + "food components" + "phosphodiesterase inhibitor" + "phosphoric diester hydrolase (EC 3.1.4.*) inhibitors" + "phosphoric diester hydrolase inhibitors" + "phosphoric diester hydrolase inhibitor" + "phosphoric diester hydrolase (EC 3.1.4.*) inhibitor" + "EC 3.1.4.* (phosphoric diester hydrolase) inhibitors" + "phosphodiesterase inhibitors" + "D-phenylalanine" + "(2R)-2-ammonio-3-phenylpropanoate" + "an alkane" + "alcanes" + "alcane" + "Alkan" + "alcano" + "RH" + "alcanos" + "antiplatyhelmintic drugs" + "antiplatyhelmintic agent" + "Purine base" + "Purine" + "fuel enhancer" + "fuel additives" + "genotoxic agents" + "genotoxic agent" + "genotoxins" + "an alcohol" + "Carbonsaeure" + "Karbonsaeure" + "acido carboxilico" + "acides carboxyliques" + "Carbonsaeuren" + "acide carboxylique" + "RC(=O)OH" + "acidos carboxilicos" + "E.coli metabolites" + "E.coli metabolite" + "Escherichia coli metabolites" + "antiparasitics" + "antiparasitic drugs" + "parasiticides" + "adenosine receptor antagonists" + "human urinary metabolites" + "calcium channel modulators" + "phenylalanine anion" + "2-amino-3-phenylpropanoate" + "d-block elements" + "d-block element" + "folic acid antagonists" + "folic acid antagonist" + "antifolates" + "trihydroxyflavanones" + "Cl(-)" + "CHLORIDE ION" + "Chloride(1-)" + "Chloride ion" + "Chlorine anion" + "Cl-" + "group 17 elements" + "halogenos" + "group VII elements" + "halogene" + "Halogene" + "halogeno" + "halogenes" + "Epavudine" + "LDT" + "1-(2-deoxy-beta-L-ribofuranosyl)-5-methyluracil" + "Beta-l-thymidine" + "L-DT" + "L-deoxythymidine" + "L-thymidine" + "beta-L-2'-deoxythymidine" + "2'-Deoxy-L-thymidine" + "organic tricyclic compounds" + "genetically encoded biomacromolecules" + "information biomacromolecules" + "information macromolecules" + "information biopolymers" + "information macromolecule" + "genetically encoded biopolymers" + "Nichtmetall" + "no metal" + "no metales" + "nonmetal" + "non-metal" + "Nichtmetalle" + "nonmetals" + "non-metaux" + "receptor modulators" + "dicarboxylic acids" + "EC 5.99.1.* (miscellaneous isomerase) inhibitors" + "EC 5.99.1.* inhibitor" + "EC 5.99.1.* inhibitors" + "immunosuppressant" + "immunosuppressive agents" + "inmunosupresor" + "primary carboxamide" + "carboxamides" + "derivatised carbohydrate" + "carbohydrate derivatives" + "derivatized carbohydrates" + "derivatised carbohydrates" + "derivatized carbohydrate" + "antidotes" + "[B(OH)3]" + "boron trihydroxide" + "B(OH)3" + "H3BO3" + "orthoboric acid" + "chlororganische Verbindungen" + "chloroorganic compounds" + "an organochlorine molecule" + "organochloride" + "organochloride compound" + "organochlorides" + "organochlorine compounds" + "organochloride compounds" + "microtubule-destabilizing agents" + "microtubule destabilising role" + "microtubule-destabilizing agent" + "microtubule-destabilising agents" + "microtubule destabilising agent" + "microtubule destabilizing role" + "microtubule destabilising agents" + "mammalian metabolites" + "medicine" + "drugs" + "straight-chain FA anions" + "straight-chain FA anion" + "straight-chain fatty acid anions" + "baryons" + "ortho-fused polycyclic arenes" + "(S)-2-Amino-3-phenylpropionic acid" + "Phe" + "3-phenyl-L-alanine" + "beta-phenyl-L-alanine" + "F" + "PHENYLALANINE" + "(S)-alpha-Amino-beta-phenylpropionic acid" + "monovalent inorganic cations" + "monoatomic monocations" + "1,4-tetramethylene glycol" + "1,4-butylene glycol" + "1,4-BD" + "HOCH2CH2CH2CH2OH" + "HO(CH2)4OH" + "tetramethylene glycol" + "1,4-BUTANEDIOL" + "1,4-dihydroxybutane" + "tetramethylene 1,4-diol" + "grupo organilo" + "grupos organilo" + "groupe organyle" + "nickel group elements" + "nickel group element" + "ortho- and peri-fused compounds" + "borate ions" + "borate anions" + "an aromatic amino-acid" + "aromatic amino-acid zwitterions" + "metal cations" + "a metal cation" + "organic polycyclic compounds" + "crustacean metabolites" + "nucleobase-containing molecular entities" + "nucleobase-containing compounds" + "nucleobase-containing compound" + "disinfectants" + "disinfecting agent" + "Desinfektionsmittel" + "desinfectant" + "2,3-benzphenanthrene" + "1,2-Benzanthrazen" + "Benz[a]anthracene" + "benzanthrene" + "1,2-Benzanthracene" + "naphthanthracene" + "Folsaeure" + "pteroylmonoglutamic acid" + "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid" + "vitamin B9" + "pteroyl-L-monoglutamic acid" + "vitamin M" + "N-pteroyl-L-glutamic acid" + "PteGlu" + "vitamin Bc" + "vitamin B11" + "PGA" + "Folate" + "pteroyl-L-glutamic acid" + "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid" + "pteroylglutamic acid" + "vitamin Be" + "carbon group molecular entities" + "metal elements" + "metals" + "metal element" + "elemental metal" + "elemental metals" + "PAH" + "polycyclic aromatic hydrocarbons" + "polycyclic arenes" + "PAHs" + "carbohydrates and their derivatives" + "carbohydrates and derivatives" + "polar solvents" + "sulfuric acid ester" + "sulfuric acid esters" + "sulfate ester" + "2'-Deoxynucleoside" + "a 2'-deoxyribonucleoside" + "2-Deoxy-D-ribosyl-base" + "2'-deoxyribonucleosides" + "Deoxynucleoside" + "organic ions" + "straight-chain fatty acids" + "homopolycyclic compounds" + "hepatotoxicants" + "hepatoxicant" + "agente hepatotoxico" + "hepatotoxic agents" + "hepatotoxicant" + "hepatotoxins" + "hepatoxic agent" + "hepatotoxin" + "an alpha-amino acid" + "aromatische Verbindungen" + "aromatics" + "sulfur oxoanions" + "oxoanions of sulfur" + "picrite" + "L-glutamic acid, ion(1-)" + "L-glutamic acid monoanion" + "L-glutamate" + "(2S)-2-ammoniopentanedioate" + "atomic hydrogen" + "type I DNA topoisomerase inhibitors" + "topoisomerase I inhibitors" + "EC 5.99.1.2 (topoisomerase I) inhibitors" + "DNA topoisomerase inhibitor" + "EC 5.99.1.2 (DNA topoisomerase) inhibitors" + "topoisomerase I inhibitor" + "topoisomerase I (EC 5.99.1.2) inhibitor" + "topoisomerase I (EC 5.99.1.2) inhibitors" + "EC 5.99.1.2 (topoisomerase I) inhibitor" + "DNA topoisomerase inhibitors" + "EC 5.99.1.2 inhibitors" + "EC 5.99.1.2 inhibitor" + "type I DNA topoisomerase inhibitor" + "Cu cation" + "copper cations" + "general anaesthetics" + "Allgemeinanaesthetikum" + "general anesthetics" + "Allgemeinanaesthetika" + "Acid carbonate" + "HCO3-" + "HCO3(-)" + "Bicarbonate" + "[CO2(OH)](-)" + "hydrogen carbonate" + "BICARBONATE ION" + "hydracids" + "N-glycosyl compounds" + "glycosylamines" + "N-glycoside" + "N-glycosides" + "primary metabolites" + "metabolites" + "secondary metabolites" + "donneur d'electron" + "Elektronendonator" + "Oktan" + "n-Octane" + "n-Oktan" + "N-OCTANE" + "CH3-[CH2]6-CH3" + "HMM" + "2,4,6-tris(dimethylamino)-1,3,5-triazine" + "2,4,6-tris(dimethylamino)-s-triazine" + "poisonous substances" + "poisonous agent" + "poisons" + "toxic substances" + "toxic agent" + "poisonous substance" + "poisonous agents" + "toxic substance" + "toxic agents" + "sulphate" + "SO4(2-)" + "Sulfate anion(2-)" + "[SO4](2-)" + "sulphate ion" + "Sulfate(2-)" + "Sulfate dianion" + "SULFATE ION" + "Sulfuric acid ion(2-)" + "D-Amino acid" + "D-alpha-amino acids" + "Base" + "nucleobases" + "a 4'-methoxyflavanone" + "EC 3.* inhibitor" + "hydrolase (EC 3.*) inhibitors" + "EC 3.*.*.* inhibitor" + "EC 3.*.*.* inhibitors" + "EC 3.* (hydrolase) inhibitors" + "hydrolase inhibitor" + "hydrolase inhibitors" + "hydrolase (EC 3.*) inhibitor" + "EC 3.* inhibitors" + "erythrose 4-phosphate/phosphoenolpyruvate family amino acids" + "phosphoenolpyruvate family amino acids" + "erythrose 4-phosphate and phosphoenolpyruvate family amino acid" + "erythrose 4-phosphate family amino acids" + "phosphoenolpyruvate family amino acid" + "erythrose 4-phosphate and phosphoenolpyruvate family amino acids" + "erythrose 4-phosphate family amino acid" + "inhibitors of phosphoric monoester hydrolase (EC 3.1.3.*)" + "inhibitor of phosphoric monoester hydrolase" + "EC 3.1.3.* inhibitors" + "EC 3.1.3.* (phosphoric monoester hydrolase) inhibitors" + "inhibitors of phosphoric monoester hydrolase" + "phosphoric monoester hydrolase inhibitor" + "phosphoric monoester hydrolase inhibitors" + "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitor" + "phosphoric monoester hydrolase (EC 3.1.3.*) inhibitors" + "EC 3.1.3.* inhibitor" + "inhibitor of phosphoric monoester hydrolase (EC 3.1.3.*)" + "inorganic hydrides" + "organooxygen heterocyclic compounds" + "oxacycles" + "heterocyclic organooxygen compounds" + "chemical messenger" + "essential oil component" + "ethereal oil components" + "essential oil components" + "volatile oil components" + "ethereal oil component" + "group V elements" + "nitrogenoideos" + "pnictogene" + "group 15 elements" + "pnictogenes" + "nitrogenoides" + "d-block molecular entities" + "d-block compounds" + "reactif" + "reagents" + "reactivo" + "Methanesulfonic acid methyl ester" + "MMS" + "Methyl mesylate" + "as-Dimethyl sulfite" + "CB1540" + "dipolar compounds" + "BP" + "3,4-BP" + "(B(a)P)" + "Benzo(a)pyrene" + "3,4-Benzopyrene" + "3,4-Benzpyrene" + "benzo[def]chrysene" + "Benzpyrene" + "Type I cell-death inhibitor" + "Type I programmed cell-death inhibitor" + "Type I programmed cell-death inhibitors" + "Type I cell-death inhibitors" + "apoptosis inhibitors" + "canonical nucleotide residues" + "53I" + "I" + "iodine" + "iode" + "Jod" + "Iod" + "J" + "yodo" + "iodium" + "elemental halogens" + "oxides" + "H+" + "H(+)" + "alkali metal salts" + "2-ammonio-3-mercaptopropanoate" + "(+)H3N-CH(CH2SH)-COO(-)" + "cross-linking reagents" + "monoatomic cations" + ">C=O" + "Glycol dichloride" + "Aethylenchlorid" + "Dutch liquid" + "Ethylene dichloride" + "1,2-Dichloraethan" + "alpha,beta-dichloroethane" + "Aethylendichlorid" + "ethylene chloride" + "1,2-DCE" + "ethane dichloride" + "DCE" + "EDC" + "peptide antibiotics" + "Immune factor" + "Immunological factor" + "immunomodulators" + "Biomodulator" + "Immunologic factor" + "N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid" + "4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid" + "Leukeran" + "Ambochlorin" + "chloraminophen" + "4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid" + "gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid" + "phenylbutyric acid nitrogen mustard" + "Lewis-Base" + "electron donor" + "base de Lewis" + "donneur d'une paire d'electrons" + "glutamic acid side-chain" + "tertiary amine(1+)" + "tertiary ammonium ions" + "a tertiary amine" + "organoelement compounds" + "heteroorganic entities" + "p-block molecular entitiy" + "p-block compounds" + "p-block molecular entities" + "NaF" + "N-Nitroso amines" + "nitrosamines" + "polyatomic cations" + "[ClH2](+)" + "H2Cl(+)" + "2-amino-3-mercaptopropanoate" + "cysteine monoanion" + "2-amino-3-sulfanylpropanoate" + "cys(-)" + "disaccharide derivatives" + "monoatomic halogens" + "beta-chloroethyl bromide" + "2-bromo-1-chloroethane" + "2-bromoethyl chloride" + "2-chloroethyl bromide" + "1,2-bromochloroethane" + "ethylene chlorobromide" + "1,2-chlorobromoethane" + "DPN" + "D-Phe" + "phenylalanine D-form" + "D-alpha-Amino-beta-phenylpropionic acid" + "antiviral agents" + "antiviral" + "anti-viral agents" + "antivirals" + "anti-viral agent" + "a monovalent cation" + "adenosine A2A receptor antagonists" + "phosphorus-32" + "phosphorus, isotope of mass 32" + "(32)P" + "Phosphorus, isotope of mass 32" + "(32)15P" + "s-triazines" + "pyrimidine nucleosides" + "N-D-Ribosylpyrimidine" + "neurotransmitters" + "aminoacridine" + "1,2:3,4-dianhydrothreitol" + "butadiene dioxide" + "1,3-butadiene diepoxide" + "dioxybutadiene" + "butadiene diepoxide" + "bioxirane" + "Butadiendioxyd" + "1,1'-bi[ethylene oxide]" + "butane diepoxide" + "1,2:3,4-diepoxybutane" + "1,2:3,4-butadiene diepoxide" + "DEB" + "fermions" + "Fluoride ion" + "F-" + "Fluorine anion" + "FLUORIDE ION" + "F(-)" + "organosulphonate salts" + "organosulphonate salt" + "organosulfonate salts" + "neurotoxins" + "neurotoxicant" + "nerve poisons" + "agente neurotoxico" + "nerve poison" + "neurotoxic agent" + "neurotoxic agents" + "O" + "Sauerstoff" + "oxygene" + "oxigeno" + "oxygen" + "8O" + "flavonoid oxoanions" + "sales" + "ionic compounds" + "salts" + "sels" + "ionic compound" + "sel" + "sal" + "Salz" + "Salze" + "cosmetics" + "cosmetic component" + "methylbenzenes" + "rutinosides" + "4-aminopteroylglutamic acid" + "aminopterin" + "N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid" + "4-amino-PGA" + "Kohlenwasserstoffe" + "hidrocarburo" + "hidrocarburos" + "hydrocarbure" + "Kohlenwasserstoff" + "ortho-fused bicyclic hydrocarbons" + "azanium ion derivatives" + "azanium ion derivative" + "ammonium ion derivatives" + "protein kinase inhibitors" + "flavonoid" + "1-diethylaminoethylethylamino-4-methyl-thioxanthenone" + "1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one" + "1-((2-(diethylamino)ethyl)amino)-4-methylthioxanthen-9-one" + "p-N,N-di-(2-chloroethyl)aminophenylethylamine" + "4-(bis(2-chloroethyl)amino)benzeneethanamine" + "p-(bis(2-chloroethyl)amino)phenethylamine" + "CB 3034" + "N-acyl-L-alpha-amino acid(1-)" + "an N-acyl-L-amino acid" + "purine nucleobases" + "a purine nucleobase" + "purine bases" + "cholinergic-blocking agents" + "Anticholinergikum" + "Anticholinergika" + "agent anticholinergique" + "anticholinergiques" + "acetylcholine receptor antagonist" + "anticolinergicos" + "acetylcholine antagonists" + "anticholinergics" + "anticholinergic agents" + "agente anticolinergico" + "agentes anticolinergicos" + "Ciratin" + "Cirantin" + "(2S)-hesperidin" + "Hesperidoside" + "Hesperetin 7-O-rutinoside" + "(S)-(-)-hesperidin" + "heterotricyclic compounds" + "anesthetic gases" + "Inhalationsanaesthetika" + "Inhalationsanaesthetikum" + "Inhalationsnarkotikum" + "inhalation anesthetics" + "Inhalationsnarkotika" + "groupe acyle" + "alkanoyl group" + "acyl groups" + "a halide anion" + "halide(1-)" + "halides" + "HX" + "halogen anion" + "Halide" + "halide anions" + "anti-infective agents" + "antiinfective drug" + "antiinfective agents" + "anti-infective drugs" + "standard nucleoside residues" + "canonical nucleoside residues" + "common nucleoside residues" + "nucleoside residue" + "non-proteinogenic L-alpha-amino acids" + "fumigants" + "fumigant pesticide" + "p-block elements" + "p-block element" + "straight-chain saturated fatty acid anions" + "-CHO" + "H-CO-" + "methanoyl" + "Fo" + "-CH(O)" + "monomethoxyflavanones" + "sulphuric acid" + "Acidum sulfuricum" + "Acido sulfurico" + "Schwefelsaeureloesungen" + "[S(OH)2O2]" + "H2SO4" + "Acide sulfurique" + "[SO2(OH)2]" + "ortho-fused bicyclic arenes" + "hydron donor" + "donneur d'hydron" + "Bronsted-Saeure" + "acide de Bronsted" + "aromatic amino acids" + "dihydroxytetrahydrofurans" + "mutagenic agent" + "mutagens" + "mutagenes" + "mutagenos" + "mutagene" + "mutageno" + "aminonaphthalenes" + "marine metabolites" + "Biopolymere" + "biopolymers" + "biomacromolecules" + "groupe benzylique" + "benzylic groups" + "aromatic annulenes" + "purine alkaloids" + "NADPH:trypanothione oxidoreductase inhibitors" + "EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitors" + "NADPH:trypanothione oxidoreductase inhibitor" + "N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitor" + "trypanothione reductase inhibitor" + "EC 1.8.1.12 inhibitors" + "trypanothione:NADP(+) oxidoreductase inhibitor" + "N(1),N(8)-bis(glutathionyl)spermidine reductase inhibitors" + "trypanothione reductase inhibitors" + "NADPH2:trypanothione oxidoreductase inhibitors" + "trypanothione-disulfide reductase (EC 1.8.1.12) inhibitors" + "NADPH2:trypanothione oxidoreductase inhibitor" + "trypanothione-disulfide reductase (EC 1.8.1.12) inhibitor" + "EC 1.8.1.12 inhibitor" + "trypanothione:NADP(+) oxidoreductase inhibitors" + "organic heteromonocyclic compounds" + "a 1,4-benzoquinol" + "1,4-benzoquinols" + "benzene-1,4-diols" + "a quinol" + "ortho- and peri-fused polycyclic arenes" + "Ionen" + "ions" + "iones" + "5-bromo-1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione" + "1-beta-ribofuranosyl-5-bromo-uracil" + "BrU" + "isoquinoline alkaloids" + "modified amino acids" + "amino acid derivatives" + "hydrosulfite anion" + "hydrogen sulfite(1-)" + "HSO3-" + "[SO2(OH)](-)" + "bisulfite" + "HSO3(-)" + "bisulphite" + "Hydrogen sulfite" + "Bisulfite" + "boron molecular entities" + "boron compounds" + "saturated fatty acid anions" + "azote" + "nitrogen" + "7N" + "nitrogeno" + "Stickstoff" + "N" + "canonical amino acid" + "canonical amino acids" + "proteinogenic amino acids" + "Mitomycin" + "7-Amino-9alpha-methoxymitosane" + "Mutamycin" + "Mitocin-C" + "MMC" + "Ametycine" + "monocarboxylic acid amides" + "=O" + "trioxoborate(III) anion" + "[BO3](3-)" + "trioxoborate(3-) ion" + "borate ion" + "BO3(3-)" + "(BO3)3-" + "sulfuric acid derivatives" + "chemoprotective agent" + "chemoprotective agents" + "protective agents" + "chemoprotectant" + "chemoprotectants" + "monohydroxytetrahydrofurans" + "ribonucleosides" + "a ribonucleoside" + "saturated heteromonocyclic parent hydride" + "saturated organic heteromonocyclic parents" + "saturated heteromonocyclic parent hydrides" + "aziridinium ion" + "human blood serum metabolites" + "xenobiotic compounds" + "non-proteinogenic alpha-amino acids" + "non-proteinogenic alpha-amino-acid" + "non-proteinogenic alpha-amino-acids" + "fungal metabolites" + "antagonista" + "antagonists" + "antagoniste" + "5-bromo-2,4(1H,3H)-pyrimidinedione" + "5-BrU" + "1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedione" + "5-BU" + "bromouracil" + "carbopolycyclic compounds" + "[6]annulene" + "Benzine" + "phenyl hydride" + "Phene" + "Coal naphtha" + "cyclohexatriene" + "Bicarburet of hydrogen" + "Benzol" + "Benzen" + "Pyrobenzole" + "Pyrobenzol" + "Mineral naphtha" + "benzole" + "alkyl bromides" + "alkyl bromide" + "bromoalkanes" + "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitor" + "phosphate-monoester phosphohydrolase (alkaline optimum) inhibitors" + "EC 3.1.3.1 (alkaline phosphatase) inhibitors" + "EC 3.1.3.1 inhibitors" + "phosphomonoesterase inhibitors" + "alkaline phosphohydrolase inhibitors" + "alkaline phosphatase (EC 3.1.3.1) inhibitor" + "alkaline phosphohydrolase inhibitor" + "alkaline phosphomonoesterase inhibitors" + "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitors" + "orthophosphoric-monoester phosphohydrolase (alkaline optimum) inhibitor" + "alkaline phosphomonoesterase inhibitor" + "alkaline phosphatase (EC 3.1.3.1) inhibitors" + "alkaline phosphatase inhibitor" + "alkaline phenyl phosphatase inhibitors" + "EC 3.1.3.1 inhibitor" + "glycerophosphatase inhibitor" + "alkaline phenyl phosphatase inhibitor" + "phosphomonoesterase inhibitor" + "glycerophosphatase inhibitors" + "alkaline phosphatase inhibitors" + "mancude-ring organic heterocyclic parents" + "mancude organic heterocyclic parents" + "L-phenylalanine cation" + "(1S)-1-carboxy-2-phenylethanaminium" + "diammineplatinum dichloride" + "diammine(dichloro)platinum" + "atomus" + "atoms" + "elements" + "element" + "atomo" + "atome" + "ethenyl carbamate" + "carbamic acid, vinyl ester" + "oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitors" + "EC 1.5.* inhibitors" + "inhibitors of oxidoreductase acting on CH-NH group of donor" + "EC 1.5.* inhibitor" + "EC 1.5.* (oxidoreductase acting on donor CH-NH group) inhibitors" + "oxidoreductase acting on donor CH-NH group (EC 1.5.*) inhibitor" + "inhibitors of oxidoreductase acting on CH-NH group of donors" + "inhibitor of oxidoreductase acting on CH-NH group of donor" + "inhibitor of oxidoreductase acting on CH-NH group of donors" + "pyrimidine deoxyribonucleosides" + "donneur" + "Donator" + "E" + "(S)-2-aminopentanedioic acid" + "GLUTAMIC ACID" + "Glu" + "L-Glu" + "L-Glutaminic acid" + "Glutamate" + "L-Glutaminsaeure" + "(S)-glutamic acid" + "cationes" + "cations" + "Kationen" + "Kation" + "azaarenes" + "hydrogen halides" + "neutral molecular compounds" + "Molekuel" + "molecules" + "molecula" + "2-Amino-3-mercaptopropionic acid" + "Zystein" + "2-amino-3-mercaptopropanoic acid" + "Cys" + "Hcys" + "cisteina" + "Cystein" + "C" + "2-amino-3-sulfanylpropanoic acid" + "saturated organic heterocyclic parents" + "saturated heterocyclic parent hydrides" + "saturated heterocyclic parent hydride" + "T" + "(3)1H" + "hydrogen-3" + "tritium" + "(3)H" + "ueberschwerer Wasserstoff" + "tritio" + "Glykol" + "Chlorwasserstoff" + "Hydrochloride" + "Wasserstoffchlorid" + "Hydrogenchlorid" + "[HCl]" + "hydrochloric acid" + "cloruro de hidrogeno" + "chlorure d'hydrogene" + "HCl" + "platinum compounds" + "platinum molecular entities" + "animal metabolites" + "naphtalene" + "naftalina" + "naftaleno" + "Naphthalin" + "naphtaline" + "Naphthalen" + "melanogenesis inhibitors" + "melanogenesis inhibitor" + "skin lightening agents" + "skin bleaching agents" + "skin bleaching agent" + "skin depigmenting agent" + "skin whitening agents" + "skin whitening agent" + "skin depigmenting agents" + "mancude-ring organic heterobicyclic parents" + "mancude organic heterobicyclic parents" + "halides" + "halide salts" + "(1R)-1-carboxy-2-phenylethanaminium" + "D-phenylalanine cation" + "cupric sulfate anhydrous" + "copper sulfate" + "CuSO4" + "Cupric sulfate" + "pyrimidine bases" + "pyrimidine nucleobases" + "a pyrimidine nucleobase" + "grupo hidrocarbilo" + "grupos hidrocarbilo" + "groupe hydrocarbyle" + "benzopyrans" + "cyclic compounds" + "cristallogene" + "group IV elements" + "cristallogenes" + "carbon group elements" + "carbon group element" + "carbonoides" + "catalizador" + "Katalysator" + "catalyseur" + "2,3,5-Tris(ethyleneimino)-1,4-benzoquinone" + "2,3,5-Ethylenimine-1,4-benzoquinone" + "2,3,5-Tris(ethylenimino)benzoquinone" + "Tris(1-aziridinyl)-p-benzoquinone" + "2,3,5-Tris(1-aziridinyl)-p-benzoquinone" + "2,3,5-Triethyleneimino-1,4-benzoquinone" + "Triazichon" + "2,3,5-Trisethyleneiminobenzoquinone" + "Triethyleneaminobenzoquinone" + "2,3,5-Tri-(1-aziridinyl)-p-benzoquinone" + "Tris(aziridinyl)-para-benzoquinone" + "Tris(aziridinyl)-p-benzoquinone" + "2,3,5-Tris(1-aziridino)-p-benzoquinone" + "2,3,5-Tris(ethylenimino)-p-benzoquinone" + "2,3,5-Tri(1-aziridinyl)-p-benzoquinone" + "2,3,5-Tris(aziridino)-1,4-benzoquinone" + "2,3,5-Tris(ethylenimino)-1,4-benzoquinone" + "1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridine" + "Tris(ethyleneimino)benzoquinone" + "2,3,5-Tris(1-aziridinyl)-2,5-cyclohexadiene-1,4-dione" + "boron group molecular entities" + "HCO2 anion" + "formic acid, ion(1-)" + "aminate" + "methanoate" + "hydrogen carboxylate" + "formiate" + "formylate" + "ester hydrolase (EC 3.1.*) inhibitor" + "ester hydrolase inhibitors" + "EC 3.1.* (ester hydrolase) inhibitors" + "EC 3.1.* inhibitor" + "ester hydrolase (EC 3.1.*) inhibitors" + "EC 3.1.* inhibitors" + "ester hydrolase inhibitor" + "ethers" + "urea derivatives" + "methoxyflavanones" + "EC 1.8.1.* inhibitors" + "EC 1.8.1.* inhibitor" + "oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitor" + "EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor) inhibitors" + "oxidoreductase acting on sulfur group of donors, NAD(+) or NADP(+) as acceptor (EC 1.8.1.*) inhibitors" + "monoatomic anions" + "nucleophilic reagents" + "nucleophile" + "nucleophiles" + "(2R)-2-amino-3-phenylpropanoate" + "D-phenylalanine anion" + "Farbstoffe" + "teintures" + "colorante" + "Farbstoff" + "teinture" + "colorantes" + "dyes" + "copper compounds" + "copper molecular entities" + "oxoanions" + "oxoacid anions" + "copper group element" + "copper group elements" + "coinage metals" + "endocrine disrupting chemicals" + "endocrine disrupting compounds" + "endocrine disrupting compound" + "endocrine disruptors" + "endocrine disrupting chemical" + "hormonally active agent" + "endocrine-disrupting chemical" + "hormonally active agents" + "endocrine-disrupting chemicals" + "antiplasmodium agents" + "antiplasmodial drugs" + "antiplasmodial agents" + "antiplasmodium drugs" + "antiplasmodium drug" + "antiplasmodium agent" + "antiplasmodial agent" + "inhibiteur" + "inhibidor" + "inhibitors" + "phosphorus molecular entities" + "s-block compounds" + "s-block molecular entities" + "topoisomerase inhibitors" + "[FH2](+)" + "H2F(+)" + "monovalent inorganic anions" + "EC 2.7.* (phosphorus-containing group transferase) inhibitors" + "EC 2.7.* inhibitor" + "EC 2.7.* (phosphorus-containing group transferase) inhibitor" + "phosphorus-containing group transferase (EC 2.7.*) inhibitors" + "phosphorus-containing group transferase (EC 2.7.*) inhibitor" + "EC 2.7.* inhibitors" + "EC 2.7.* (P-containing group transferase) inhibitors" + "phosphorus-containing group transferase inhibitor" + "phosphorus-containing group transferase inhibitors" + "Toluen" + "Toluol" + "phenylmethane" + "methylbenzene" + "atomic chlorine" + "xenobiotic metabolites" + "sulfito" + "sulphites" + "Sulfite" + "sulfitos" + "DNAn" + "deoxyribonucleic acids" + "DNAn+1" + "DNA" + "DNS" + "thymus nucleic acid" + "Desoxyribonukleinsaeure" + "(Deoxyribonucleotide)n+m" + "(Deoxyribonucleotide)m" + "desoxyribose nucleic acid" + "(Deoxyribonucleotide)n" + "EC 2.* inhibitor" + "EC 2.* (transferase) inhibitors" + "EC 2 inhibitors" + "EC 2.* inhibitors" + "transferase inhibitors" + "transferase inhibitor" + "EC 2 inhibitor" + "antoxidant" + "antioxydant" + "antioxidants" + "arylsulfonic acids" + "arenesulfonic acids" + "arylsulfonic acid" + "organic aromatic compounds" + "fluorides" + "fluoride salts" + "halohydrocarbons" + "halogenated hydrocarbons" + "organofluorine compounds" + "fluoroorganic compounds" + "fluoroorganics" + "fluororganische Verbindungen" + "fluoroorganic compound" + "metalloids" + "metalloid" + "carboxylic acid dianions" + "O=N-" + "-N=O" + "cis-DDP" + "Peyrone's chloride" + "Peyrone's salt" + "CDDP" + "cis-diamminedichloroplatinum" + "[PtCl2(NH3)2]" + "cis-platin" + "cis-diammineplatinum(II) dichloride" + "Platamine" + "cis-dichlorodiammineplatinum(II)" + "cis-[PtCl2(NH3)2]" + "cis-Diamminedichloroplatinum(II)" + "phosphamides" + "phosphoramides" + "phosphamide" + "prokaryotic metabolites" + "inorganic sodium salts" + "hesperetin anion" + "Nutritional supplement" + "Dietary Supplement" + "Food Supplementation" + "refrigerants" + "leptons" + "diethylsulfate" + "diethyl tetraoxosulfate" + "DES" + "Diaethylsulfat" + "ethyl sulfate" + "sulphuric acid diethyl ester" + "sulfuric acid diethyl ester" + "diethyl sulphate" + "Et2SO4" + "sulphides" + "EC 5.99.* (miscellaneous isomerases) inhibitors" + "EC 5.99.* (other isomerase) inhibitor" + "EC 5.99.* (other isomerase) inhibitors" + "EC 5.99.* (miscellaneous isomerases) inhibitor" + "EC 5.99.* inhibitors" + "EC 5.99.* inhibitor" + "EC 5.99.* (other isomerases) inhibitors" + "a divalent metal cation" + "7,8-dihydrofolate reductase inhibitors" + "NADPH-dihydrofolate reductase inhibitor" + "dihydrofolic reductase inhibitor" + "DHFR inhibitor" + "dihydrofolate reductase (EC 1.5.1.3) inhibitors" + "folic acid reductase inhibitor" + "dihydrofolic acid reductase inhibitor" + "dihydrofolate reductase inhibitor" + "tetrahydrofolate dehydrogenase inhibitors" + "tetrahydrofolate dehydrogenase inhibitor" + "folic reductase inhibitor" + "folic acid reductase inhibitors" + "NADPH-dihydrofolate reductase inhibitors" + "EC 1.5.1.3 (dihydrofolate reductase) inhibitors" + "folic reductase inhibitors" + "dihydrofolic reductase inhibitors" + "dihydrofolate reductase inhibitors" + "dihydrofolate reductase (EC 1.5.1.3) inhibitor" + "EC 1.5.1.3 inhibitors" + "7,8-dihydrofolate reductase inhibitor" + "DHFR inhibitors" + "EC 1.5.1.3 inhibitor" + "dihydrofolic acid reductase inhibitors" + "organosulfonate oxoanions" + "organosulfonates" + "organosulfonate" + "halogen compounds" + "halogen molecular entities" + "vitamina" + "vitaminum" + "vitamins" + "vitamine" + "vitamines" + "vitaminas" + "vitamin" + "nutrients" + "saccharidum" + "glucido" + "glucide" + "hydrates de carbone" + "glucidos" + "glucides" + "saccharide" + "saccharides" + "Kohlenhydrate" + "Kohlenhydrat" + "a carbohydrate" + "carbohidrato" + "carbohidratos" + "monocyclic arenes" + "alcaloides" + "alcaloide" + "Alkaloide" + "EC 5.* inhibitor" + "EC 5.* (isomerase) inhibitors" + "EC 5.*.*.* inhibitors" + "EC 5.* inhibitors" + "isomerase (EC 5.*) inhibitor" + "EC 5.*.*.* inhibitor" + "isomerase inhibitors" + "isomerase inhibitor" + "isomerase (EC 5.*) inhibitors" + "peptido" + "Peptid" + "peptidos" + "Disacharid" + "disacarido" + "disacaridos" + "Disaccharid" + "polyheterocyclic compounds" + "R-CO-R'" + "cetone" + "Keton" + "a ketone" + "ketones" + "D-alpha-amino carboxylate" + "D-alpha-amino acid anions" + "hetarenes" + "plant metabolites" + "plant secondary metabolites" + "neurotransmitter agents" + "SFA" + "saturated fatty acids" + "SFAs" + "derivatives of sulfonic acid" + "sulfonic acid derivatives" + "pnictogen oxoanions" + "phosphate" + "Pi" + "phosphate ions" + "macronutrients" + "7-methyltheophylline" + "1,3,7-trimethyl-2,6-dioxopurine" + "1,3,7-trimethylxanthine" + "1,3,7-trimethylpurine-2,6-dione" + "guaranine" + "cafeine" + "Coffein" + "Koffein" + "teina" + "anhydrous caffeine" + "cafeina" + "mateina" + "1-methyltheobromine" + "Thein" + "3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion" + "1,3,7-Trimethylxanthine" + "methyltheobromine" + "theine" + "Dihydrogen carbonate" + "[CO(OH)2]" + "Koehlensaeure" + "H2CO3" + "organooxygen compounds" + "sulfates" + "sulphates" + "sulphate salts" + "sulfate salts" + "non-proteinogenic amino-acid" + "non-proteinogenic amino-acids" + "non-coded amino acids" + "non-canonical amino acid" + "non-canonical amino acids" + "non-proteinogenic amino acids" + "non-coded amino-acid" + "non-canonical amino-acid" + "non-coded amino acid" + "non-canonical amino-acids" + "non-coded amino-acids" + "human xenobiotic metabolites" + "glycosyl compounds" + "Anaesthetikum" + "anesthetic drug" + "anaesthetics" + "anesthetics" + "Anaesthetika" + "anesthetic agent" + "alpha-amino-acid cations" + "alpha-amino acid cations" + "Pestizide" + "Pestizid" + "pesticides" + "oxoacid derivatives" + "platinum coordination entities" + "platinum coordination compounds" + "polyatomic ions" + "L-Amino acid" + "L-2-Amino acid" + "L-alpha-amino acids" + "EC 6.* (ligase) inhibitors" + "EC 6.*.*.* inhibitor" + "EC 6.* inhibitors" + "EC 6.* inhibitor" + "ligase inhibitor" + "ligase inhibitors" + "EC 6.*.*.* inhibitors" + "environmental contaminants" + "O-glycosides" + "glycosides" + "O-glycoside" + "organodiyl groups" + "Prodrugs" + "tetrahydrofuranols" + "alkyl halides" + "haloalkanes" + "alkyl halide" + "hadrons" + "hydroxynaphthalene" + "organic heteropolycyclic compounds" + "alkali metal cations" + "iminium cations" + "iminium ions" + "bromine molecular entities" + "bromine compounds" + "polymer molecule" + "polymers" + "macromolecules" + "polymer" + "carbamyl group" + "aminocarbonyl" + "carboxamide" + "-C(O)NH2" + "carbamyl" + "-CONH2" + "aminic acid" + "methoic acid" + "Methanoic acid" + "HCOOH" + "H-COOH" + "bilorin" + "HCO2H" + "formylic acid" + "hydrogen carboxylic acid" + "Acide formique" + "Ameisensaeure" + "dibenzopyridines" + "L-phenylalanine anion" + "(2S)-2-amino-3-phenylpropanoate" + "hydrogen molecular entities" + "hydrogen compounds" + "para-quinones" + "p-quinone" + "deoxyribonucleosides" + "sulfur molecular entities" + "protein-serine/threonine kinase inhibitors" + "EC 2.7.11.* (protein-serine/threonine kinase) inhibitors" + "EC 2.7.11.* inhibitors" + "protein-serine/threonine kinase (EC 2.7.11.*) inhibitor" + "protein-serine/threonine kinase (EC 2.7.11.*) inhibitors" + "EC 2.7.11.* inhibitor" + "protein-serine/threonine kinase inhibitor" + "1,1-diunsubstituted alkanesulfonates" + "1,1-di-unsubstituted alkanesulfonate" + "1,1-di-unsubstituted alkanesulfonates" + "tertiary amino compounds" + "inorganic oxides" + "2-hydroxynaphthalene" + "beta-Naphthol" + "beta-naphthol" + "2-Naftol" + "beta-hydroxynaphthalene" + "beta-naphthyl hydroxide" + "2-naftolo" + "Isonaphthol" + "beta-Naphtol" + "2-naphtol" + "2-naphthalenol" + "beta-Naftol" + "beta-naftolo" + "beta-naphthyl alcohol" + "sulfur mustard" + "mustard gas" + "1,1'-thiobis(2-chloroethane)" + "bis(2-chloroethyl)sulfane" + "Mustard gas" + "Yperite" + "Senfgas" + "bis(2-chloroethyl) sulphide" + "Iprit" + "1-chloro-2-[(2-chloroethyl)thio]ethane" + "Lost" + "arenesulfonates" + "metal allergens" + "allergenic metals" + "allergenic metal" + "hormone receptor modulators" + "N-acyl amino acids" + "N-acyl-amino-acid" + "N-acylamino acid" + "N-acyl amino acid" + "N-acyl-amino-acids" + "acyl-amino-acid" + "acylamino acids" + "N-acylamino acids" + "acyl-amino-acids" + "an alkyl sulfate" + "alkyl sulfate anion" + "transition elements" + "metal de transicion" + "metaux de transition" + "transition metal" + "Uebergangsmetalle" + "metal de transition" + "metales de transicion" + "transition element" + "Uebergangselement" + "transition metals" + "R-717" + "spirit of hartshorn" + "NH3" + "Ammoniak" + "[NH3]" + "amoniaco" + "ammoniac" + "vitamin B9 vitamers" + "vitamins B9" + "folate vitamer" + "folate vitamers" + "vitamin B9 vitamer" + "vitamin B-9" + "1,2:5,6-Dibenzanthracene" + "DBA" + "cysteine derivatives" + "oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitors" + "oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor (EC 1.5.1.*) inhibitor" + "EC 1.5.1.* inhibitor" + "EC 1.5.1.* inhibitors" + "EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD(+) or NADP(+) as acceptor) inhibitors" + "chlore" + "cloro" + "chlorum" + "chlorine" + "Chlor" + "17Cl" + "Cl" + "ethyl hydride" + "R-170" + "dimethyl" + "CH3-CH3" + "bimethyl" + "methylmethane" + "Ethan" + "C2H6" + "Aethan" + "D-glutamic acid dianion" + "alkanesulfonate oxoanions" + "an alkanesulfonate" + "alkanesulfonates" + "membrane transport modulators" + "mancunide-ring systems" + "mancude rings" + "organic groups" + "ortho-fused compounds" + "non-proteinogenic amino-acid derivatives" + "non-canonical amino acid derivative" + "non-canonical amino-acid derivatives" + "anorganische Verbindungen" + "inorganic compounds" + "inorganic molecular entities" + "inorganic entity" + "inorganics" + "SODIUM ION" + "Na+" + "Na(+)" + "algal metabolites" + "elementary particles" + "CARBONATE ION" + "[CO3](2-)" + "CO3(2-)" + "Karbonat" + "1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one" + "Hycanthon" + "1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one" + "1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one" + "Lucanthone metabolite" + "(2S)-2-ammonio-3-phenylpropanoate" + "phenylalanine" + "L-phenylalanine" + "ethene oxide" + "Aethylenoxid" + "epoxyethane" + "Oxyfume" + "Oxane" + "Anprolene" + "oxyde d'ethylene" + "1,2-epoxyethane" + "1,2-Epoxyaethan" + "Oxidoethane" + "Dihydrooxirene" + "Anproline" + "Ethylene oxide" + "Amprolene" + "Oxacyclopropane" + "ETO" + "Dimethylene oxide" + "FORMALIN" + "Methylene oxide" + "Oxomethylene" + "Oxomethane" + "Formalin" + "Formaldehyd" + "Methanal" + "organic cations" + "psychotropic drugs" + "psychoactive agent" + "psychopharmaceuticals" + "psychoactive drugs" + "D-2-Aminoglutaric acid" + "glutamic acid D-form" + "DGL" + "D-Glutaminsaeure" + "D-Glutaminic acid" + "(R)-2-aminopentanedioic acid" + "isoureas" + "antimalarials" + "carboxyl group" + "-C(O)OH" + "-CO2H" + "-COOH" + "actinomycins" + "fluorine compounds" + "fluorine molecular entities" + "methylsulfonate" + "organic heterocycle" + "organic heterocyclic compounds" + "propellants" + "pnictogen oxoacids" + "inorganic groups" + "sensitizers" + "sensitisers" + "sensitizer" + "fosforo" + "P" + "phosphore" + "Phosphorus" + "phosphorus" + "Phosphor" + "15P" + "antimetabolites" + "chalcogen molecular entities" + "chalcogen compounds" + "inorganic cations" + "vesicants" + "blister agents" + "blister agent" + "divalent inorganic anions" + "folates" + "folate" + "T(+)" + "t" + "t(+)" + "(3)H(+)" + "(3)1H(+)" + "7-bromomethyl-12-methylbenz[a]anthracene" + "7-bromomethyl-12-methylbenzanthracene" + "7-BrMe-12-MeBA" + "organic anions" + "anti-virus drug" + "anti-viral drug" + "antiviral drugs" + "sulfur oxoacid derivatives" + "carboximidic acids" + "aromatic hydrocarbons" + "chalcogen oxoanions" + "mesylate esters" + "mesylate ester" + "methanesulfonic acid esters" + "ammonium cation" + "Ammonium(1+)" + "[NH4](+)" + "NH4+" + "NH4(+)" + "ammonium ion" + "thioethers" + "Thioether" + "RSR" + "Sulfide" + "organic sulfides" + "Carbamat" + "carbamate ion" + "carbamic acid, ion(1-)" + "Karbamat" + "N,N-Dimethylnitrosamine" + "Dimethylnitrosoamine" + "1,1-Dimethyl-2-oxohydrazine" + "Dimethylnitrosamine" + "DMN" + "10-azaanthracene" + "acrydine" + "Akridin" + "2,3,5,6-dibenzopyridine" + "benzo[b]quinoline" + "9-azaanthracene" + "2,3-benzoquinoline" + "dibenzo[b,e]pyridine" + "sulfur-containing amino-acid anions" + "carbobicyclic compounds" + "nucleotide residues" + "benzoate anion" + "mitomycins" + "trivalent inorganic anions" + "folate" + "folate anions" + "folate anion" + "Hauptgruppenelemente" + "main group element" + "Hauptgruppenelement" + "monoatomic monoanions" + "chalcogen oxoacids" + "halides" + "Aminobenzoesaeure" + "peptide zwitterions" + "a peptide" + "base de Bronsted" + "hydron acceptor" + "Bronsted-Base" + "accepteur d'hydron" + "platinum group metals" + "platinum metals" + "platinoid" + "platinum group metal" + "Platinoide" + "PGM" + "Platinmetalle" + "2,3-dihydroflavones" + "a flavanone" + "oxopurines" + "inorganic sulfates" + "inorganic sulfate salts" + "imidazopyrimidines" + "adjuvants" + "HBO3(2-)" + "[BO2(OH)](2-)" + "Harnstoff" + "ur" + "E927b" + "H2NC(O)NH2" + "uree" + "carbonyldiamide" + "Carbamide" + "Karbamid" + "1728" + "1,1'-oxybisethane" + "Anesthetic ether" + "ethyl oxide" + "Diethylaether" + "aether" + "aether pro narcosi" + "Pronarcol" + "Ether" + "diethyl oxide" + "ethyl ether" + "3-oxapentane" + "R-610" + "ethoxyethane" + "Aether" + "onium ions" + "onium cations" + "onium ion" + "mitosis inhibitors" + "mitotic inhibitors" + "mitotic inhibitor" + "mitosis inhibitor" + "antimitotics" + "aminomethanamidine" + "Gu" + "H2N-C(=NH)-NH2" + "guanidin" + "iminourea" + "amino acid anions" + "amino-acid anions" + "dihydroxybenzene" + "imide" + "NH(2-)" + "naphthalenesulfonic acids" + "organic cyclic compounds" + "oxoacids of carbon" + "carbon oxoacids" + "organosulfonic acids" + "sulfonic acids" + "anti-aging agent" + "geroprotective agents" + "geroprotectors" + "anti-aging drug" + "anti-aging agents" + "anti-aging drugs" + "geroprotective agent" + "grupo" + "Rest" + "groupe" + "Gruppe" + "grupos" + "[PO(OH)3]" + "Phosphorsaeure" + "acidum phosphoricum" + "Orthophosphoric acid" + "acide phosphorique" + "H3PO4" + "orthophosphoric acid" + "Phosphorsaeureloesungen" + "Phosphate" + "RyRs activator" + "ryanodine receptor activator" + "RyR activators" + "RyR agonist" + "RyRs agonist" + "RyR agonists" + "RyR activator" + "ryanodine receptor activators" + "cysteine side-chain" + "HS-CH2-" + "-CH2-SH" + "alkali metal molecular entities" + "antibacterials" + "antibacterial agents" + "bactericide" + "bactericides" + "organic sulfates" + "diuretics" + "trimethylxanthines" + "nitroso compounds" + "an aromatic carboxylate" + "straight-chain saturated fatty acids" + "tritium-labelled compound" + "(3)H-labelled compounds" + "(3)H-labeled compounds" + "tritium-labeled compounds" + "tritium-labeled compound" + "tritiated compounds" + "(3)H-labeled compound" + "tritium-labelled compounds" + "(3)H-labelled compound" + "aldehydum" + "RCHO" + "aldehido" + "RC(=O)H" + "aldehydes" + "Aldehyd" + "aldehidos" + "an aldehyde" + "Phosphate" + "PO4(3-)" + "Orthophosphate" + "[PO4](3-)" + "PHOSPHATE ION" + "teratogeno" + "teratogen" + "agent teratogene" + "sulphite" + "[SO3](2-)" + "SO3(2-)" + "SULFITE ION" + "SO3" + "carbon oxoanions" + "oxocarbon anion" + "oxocarbon anions" + "organosulfate oxoanions" + "ethylene bromide" + "EDB" + "alpha,beta-dibromoethane" + "sym-Dibromoethane" + "DBE" + "alpha,omega-dibromoethane" + "Ethylene dibromide" + "transition element coordination entities" + "transition metal coordination compounds" + "transition metal coordination entities" + "improving agents" + "dough improver" + "dough improvers" + "improving agent" + "organic halide salts" + "2,6-dioxopurines" + "2,6-dioxopurine" + "xanthines" + "medicament" + "pharmaceuticals" + "farmaco" + "glycans" + "composite particles" + "an epoxide" + "Olefin oxide" + "epoxides" + "Alkene oxide" + "Alkalimetalle" + "metal alcalin" + "metales alcalinos" + "metal alcalino" + "metaux alcalins" + "Alkalimetall" + "alkali metal" + "Amino acids" + "alpha-amino acids" + "Amino acid" + "alpha-amino carboxylic acids" + "groupe aryle" + "grupos arilo" + "Arylgruppe" + "adstringent" + "adstringents" + "astringents" + "univalent carboxylic acyl groups" + "univalent acyl group" + "univalent carboacyl groups" + "fused-ring polycyclic compound" + "fused-ring polycyclic compounds" + "fused polycyclic compounds" + "fused compounds" + "polycyclic fused-ring compounds" + "diaminomethaniminium" + "guanidine" + "[C(NH2)3](+)" + "organic heterobicyclic compounds" + "heterobicyclic compounds" + "nucleosides" + "a nucleoside" + "2-aryl-1-benzopyrans" + "2-aryl-1-benzopyran" + "flavonoids" + "hydrogene" + "Wasserstoff" + "hydrogen" + "hidrogeno" + "1H" + "H" + "sulfur-containing amino acids" + "aliphatic thioethers" + "aliphatic thioether" + "aromatic carboxylic acids" + "a fatty acid" + "fatty acid anions" + "acidos grasos anionicos" + "Fettsaeureanion" + "Fettsaeureanionen" + "acido graso anionico" + "anion de l'acide gras" + "Alkanate" + "organic molecules" + "organic compound" + "organic compounds" + "carbotricyclic compounds" + "ferroptosis inducers" + "epoxy compounds" + "cyclic ethers" + "N-BUTANE" + "R-600" + "n-butane" + "n-C4H10" + "n-Butan" + "E 943a" + "E943a" + "E-943a" + "NH2(-)" + "organochalcogen compounds" + "flavanone glycosides" + "a carboxylate" + "carboxylic anions" + "carboxylic acid anions" + "trace elements" + "micronutrients" + "Akzeptor" + "accepteur" + "A" + "Oxidized donor" + "Hydrogen-acceptor" + "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitors" + "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitor" + "EC 5.99.1.3 (DNA topoisomerase (ATP-hydrolysing)) inhibitors" + "topoisomerase II inhibitors" + "EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitors" + "type II DNA topoisomerase inhibitor" + "EC 5.99.1.3 inhibitor" + "DNA topoisomerase (ATP-hydrolysing) inhibitor" + "DNA topoisomerase II inhibitor" + "inhibitors of type II topoisomerase" + "inhibitor of type II topoisomerase" + "DNA topoisomerase (ATP-hydrolysing) (EC 5.99.1.3) inhibitor" + "topoisomerase-II inhibitor" + "DNA topoisomerase II inhibitors" + "topoisomerase II inhibitor" + "DNA topoisomerase (ATP-hydrolysing) inhibitors" + "type II DNA topoisomerase inhibitors" + "topoisomerase-II inhibitors" + "DNA gyrase inhibitor" + "DNA gyrase inhibitors" + "EC 5.99.1.3 inhibitors" + "dihydroxyflavanones" + "N-Acyl-L-amino acid" + "mononuclear hydrides" + "mononuclear hydride" + "carboxylic acyl groups" + "emetics" + "glycol ethers" + "Chinon" + "quinones" + "EC 1.8.* inhibitor" + "EC 1.8.* inhibitors" + "oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitors" + "EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitors" + "oxidoreductase acting on a sulfur group of donors (EC 1.8.*) inhibitor" + "short-chain fatty acid anions" + "a short-chain fatty acid" + "benzophenanthridines" + "acido" + "acids" + "acide" + "Saeuren" + "Saeure" + "sulfur oxoacids" + "oxoacids of sulfur" + "coordination compounds" + "polyatomic entities" + "S" + "theion" + "azufre" + "Elemental sulfur" + "16S" + "soufre" + "sulfur" + "Schwefel" + "sulphur" + "bicyclic compounds" + "canonical amino acid derivative" + "proteinogenic amino-acid derivative" + "canonical amino-acid derivative" + "canonical amino acid derivatives" + "proteinogenic amino acid derivatives" + "proteinogenic amino-acid derivatives" + "canonical amino-acid derivatives" + "inorganic anions" + "Aryl alcohol" + "arenols" + "a phenol" + "organic heterotetracyclic compounds" + "molecular entities" + "entidades moleculares" + "entidad molecular" + "molekulare Entitaet" + "entite moleculaire" + "2,4,6-tri(1-aziridinyl)-1,3,5-triazine" + "2,4,6-tris(aziridin-1-yl)-1,3,5-triazine" + "2,4,6-tris(1-aziridinyl)-s-triazine" + "Trisaziridinyltriazine" + "Triethylenemelamine" + "2,4,6-tris(1-aziridinyl)-1,3,5-triazine" + "TEM" + "azirinopyrroloindoles" + "baker's yeast secondary metabolites" + "S. cerevisiae metabolite" + "S. cerevisiae secondary metabolites" + "S. cerevisiae secondary metabolite" + "baker's yeast metabolites" + "S. cerevisiae metabolites" + "baker's yeast metabolite" + "Saccharomyces cerevisiae metabolites" + "Saccharomyces cerevisiae secondary metabolites" + "baker's yeast secondary metabolite" + "antimicrobial drugs" + "alkyl sulfates" + "ethyl sulfides" + "central nervous system agents" + "CNS agent" + "CNS drugs" + "brome" + "Brom" + "bromo" + "35Br" + "bromum" + "bromine" + "Br" + "carbamates" + "carbamate esters" + "chlorides" + "chloride salts" + "azacycloalkanes" + "fluorum" + "F" + "fluor" + "fluorine" + "9F" + "Fluor" + "Janus Green B" + "3-(diethylamino)-7-((p-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" + "3-(diethylamino)-7-((4-(dimethylamino)phenyl)azo)-5-phenylphenazinium chloride" + "Janus Green V" + "Nukleonen" + "nucleons" + "Nukleon" + "1-carboxy-2-phenylethanaminium" + "phenylalanine cation" + "Daphnia metabolites" + "organic fundamental parents" + "organic parent hydrides" + "polycyclic compounds" + "polynucleotides" + "water-soluble vitamins" + "water-soluble vitamin" + "wasserloesliche Vitamine" + "organic amino compounds" + "inorganic ions" + "Divalent cation" + "monoatomic dications" + "divalent inorganic cations" + "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor" + "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors" + "EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors" + "EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors" + "EC 3.5.* inhibitor" + "EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor" + "EC 3.5.* inhibitors" + "Pteroinsaeure" + "nickel group molecular entities" + "green hydroquinone" + "p-benzoquinhydrone" + "Chinhydron" + "p-benzoquinone--hydroquinone compound (1:1)" + "methylxanthines" + "rhamnosylglucosides" + "pyrimidine 2'-deoxyribonucleosides" + "N-Ethyl-N-nitroso carbamide" + "N-Ethyl-N-nitroso-urea" + "N-Ethylnitrosourea" + "Ethyl nitrosourea" + "1-Ethyl-1-nitrosourea" + "NEU" + "1-(Aminocarbonyl)-1-ethyl-2-oxohydrazine" + "Aethylnitroso-harnstoff" + "ENU" + "oxides of sulfur" + "sulfur oxides" + "Schwefeloxide" + "organosulfur compounds" + "antinematodal drugs" + "antinematodal agent" + "antinematodals" + "1-amino-4-sulfo-2-naphthol" + "4-amino-3-hydroxynaphthalene-1-sulphonic acid" + "1-amino-2-naphthol-4-sulfonic acid" + "imidic acids" + "imino acids" + "L-glutamic acid dianion" + "organic chloride salts" + "VOCs" + "VOC" + "volatile organic compounds" + "nematocides" + "nematicides" + "nematocide" + "carbocycle" + "heterocyclic organonitrogen compounds" + "organonitrogen heterocyclic compounds" + "a monocarboxylate" + "Carboxylate" + "monocarboxylates" + "Monocarboxylate" + "monocarboxylic acid anions" + "anions" + "Anionen" + "aniones" + "glutamic acid monoanion" + "glutamate" + "2-ammoniopentanedioate" + "monocyclic hydrocarbons" + "allergenic drug" + "[SO3(OH)](-)" + "HYDROGEN SULFATE" + "HSO4(-)" + "Amidines" + "amidines" + "chloroalkanes" + "alkyl chlorides" + "alkyl chloride" + "boron" + "boro" + "boracium" + "5B" + "Boron" + "Bor" + "B" + "bore" + "Homo sapiens metabolite" + "H. sapiens metabolite" + "H. sapiens metabolites" + "Homo sapiens metabolites" + "s-block elements" + "s-block element" + "Element der Borgruppe" + "boron group element" + "group III elements" + "boron group elements" + "NaHSO3" + "saures Natriumsulfit" + "sodium bisulfite" + "Natriumbisulfit" + "primaeres Natriumsulfit" + "Natriumhydrogensulfit" + "sodium hydrogen sulfite" + "sodium bisulphite" + "acylamidase inhibitor" + "EC 3.5.1.4 inhibitors" + "acylamidase inhibitors" + "fatty acylamidase inhibitor" + "amidase (EC 3.5.1.4) inhibitors" + "amidase inhibitor" + "amidase (EC 3.5.1.4) inhibitor" + "amidohydrolase inhibitor" + "amidase inhibitors" + "amidohydrolase inhibitors" + "fatty acylamidase inhibitors" + "EC 3.5.1.4 inhibitor" + "acylamide amidohydrolase inhibitors" + "acylamide amidohydrolase inhibitor" + "N-acetylaminohydrolase inhibitors" + "N-acetylaminohydrolase inhibitor" + "deaminase inhibitors" + "deaminase inhibitor" + "EC 3.5.1.4 (amidase) inhibitors" + "heteroatomic molecular entities" + "chemical compound" + "aminobenzoates" + "azanes" + "homoatomic entity" + "homoatomic molecular entities" + "homoatomic molecular entity" + "1-benzopyrans" + "nucleoside residues" + "dicarboxylic acids and derivatives" + "78Pt" + "Pt" + "Platin" + "platine" + "platino" + "Chalkogene" + "calcogeno" + "group 16 elements" + "chalcogene" + "group VI elements" + "chalcogenes" + "anfigeno" + "anfigenos" + "Chalkogen" + "calcogenos" + "inorganic salts" + "anorganisches Salz" + "nitrogen mustard compounds" + "nitrogen mustards" + "nitrogen mustard compound" + "photosensitising agent" + "behavioral" + "gravitaxis behavior defective" + "geotaxis behaviour defective" + "easily shocked" + "delayed aging" + "meiotic" + "mitotic" + "phototaxis behaviour defective" + "premature aging" + "variegation" + "auditory system defective" + "dorsal-ventral polarity" + "video" + "meeting report" + "conference proceedings" + "adjacent to" + "environmental stress response defective" + "programmed cell death decrease" + "pcd decrease" + "flight behaviour defective" + "programmed cell death defective" + "apoptosis defective" + "pcd defective" + "programmed cell death increase" + "pcd increase" + "tumorigenesis" + "neoplasm" + "neoplastic" + "tumorigenic" + "Journal article" + "TAPIN-seq" + "Guideline" + "pupal lethal" + "larval lethal" + "pupal lethal" + "tissue polarity defective" + "pupal lethal" + "pupal lethal" + "larval lethal" + "mutation induced by p-N,N-di-(2-chloroethyl)amino-DL-phenylalanine exposure" + "mutation induced by melphalan exposure" + "hs" + "conditional ts" + "conditional - heat sensitive" + "mutation induced by male recombination" + "mutation induced by diethyl sulfate exposure" + "mutation induced by non-ionizing irradiation" + "change induced by recombination" + "change induced by TALE endonuclease cleavage" + "binary expression system - effector" + "mutation induced by P-element mobilization by p pi25.7wc supplied transposase" + "mutation induced by transposable element activity" + "mutation induced by X ray irradiation" + "mutation induced by sodium bisulphite exposure" + "light-regulated gene product degradation tag" + "electrically signalling cell activation tool" + "mutation induced by mustard gas exposure" + "mutation induced by sulfur gas exposure" + "mutation induced by bis(2-chloroethyl) sulfide exposure" + "mutation induced by lucanthone exposure" + "mutation induced by 1-bromo-2-chloroethane exposure" + "sFv antibody" + "scFv antibody" + "single-chain variable region fragment antibody" + "mutation induced by nitrogen mustard exposure" + "thermogenetic neuron inhibition tool" + "mutation induced by hobo element activity" + "mutation induced by colchicine exposure" + "single-cell RNA sequencing assay" + "scRNA-Seq" + "sex qualifier" + "mutation induced by 1,4-dimethanesulfonoxy-1,4-dimethylbutane exposure" + "mutation induced by diepoxyoctane exposure" + "Comment" + "mutation induced by cisplatin exposure" + "change induced by an in vitro construct - coding region fusion" + "mutation induced by styryl quinoline exposure" + "change induced by phiC31 integrase recombination" + "mutation induced by magnetic field irradiation" + "mutation induced by alpha ray irradiation" + "light-dependent activity regulation tag" + "change induced by site specific recombination" + "change induced by an in vitro construct - minigene" + "mutation induced by p-N,N-di-(2-chloroethyl)amino-D-phenylalanine exposure" + "mutation induced by reduction" + "change induced by zinc finger nuclease-mediated cleavage" + "mutation induced by alkylating agent exposure" + "tritiated 2'-deoxycytidine" + "mutation induced by 3H-deoxycytidine irradiation" + "tritiated deoxycytidine" + "mutation induced by ethylenimine exposure" + "mutation induced by p-N,N-di(2-chloroethyl)aminophenylvaleric acid exposure" + "mutation induced by urethane exposure" + "multipublication" + "multipub" + "Parent publication" + "mutation induced by P-element mobilization by p pi25.1 supplied transposase" + "mutation induced by chemical exposure" + "mutation induced by magnification" + "mutation induced by H3BO3 exposure" + "mutation induced by intercalating agent exposure" + "mutation induced by P-element mobilization by Delta2-3 transposase" + "mutation induced by 1-amino-2-naphthol-4-sulfonic acid exposure" + "mutation induced by cupric sulfate" + "mutation induced by 1,2-dichloroethane exposure" + "mutation induced by MRF31.1 male recombination" + "31.1 MRF" + "change induced by segregation" + "mutation induced by 1,2:5,6-dibenzanthracene exposure" + "mutation induced by S-2-chloroethylcysteine exposure" + "allele morphy class" + "Bibliography" + "mutation induced by MRF23.5 male recombination" + "23.5 MRF" + "mutation induced by caffeine exposure" + "change induced by an in vitro construct - regulatory fusion" + "mutation induced by spontaneous event" + "mutation induced by N-nitrosodiethylamine exposure" + "change induced by CRISPR/Cas9 endonuclease cleavage" + "change induced by in vitro construct" + "mutation induced by ionizing irradiation" + "mutation induced by actinomycin D exposure" + "additional files" + "supplementary information" + "supporting information" + "Electronic Supplementary Materials" + "Congresses" + "mutation induced by Janus green B exposure" + "optogenetic neuron activation tool" + "mutation induced by 252Cf fission neutron irradiation" + "change induced by site specific cleavage" + "mutation induced by irradiation" + "mutation induced by 7-bromomethyl-12-methylbenz[a]anthracene exposure" + "mutation induced by methyl methanesulfonate exposure" + "mutation induced by MMS exposure" + "change induced by ends-in gene targeting" + "thermogenetic neuron activation tool" + "conditional beta-estradiol" + "hydrogen-3" + "tritium atom" + "mutation induced by 3H irradiation" + "mutation induced by ethyl ether exposure" + "conditional tetracycline" + "mutation induced by DMN exposure" + "mutation induced by N-nitrosodimethylamine exposure" + "mutation induced by HMS exposure" + "mutation induced by hycanthon methanesulfonate exposure" + "mutation induced by U.V. irradiation" + "mutation induced by 32-P irradiation" + "32-phosphorous" + "phosphorus-32 atom" + "change induced by mitotic recombination" + "mutation induced by 226Ra alpha ray irradiation" + "change induced by an in vitro construct - genomic fragment" + "mutation induced by vinyl carbamate exposure" + "mutation induced by PM hybrid dysgenesis" + "change induced by unequal recombination" + "mutation induced by inorganic compound exposure" + "inorganic molecular entity" + "site-specific recombination target region" + "Published Erratum" + "Corrigendum" + "correction" + "mutation induced by carbamate exposure" + "change induced by cre recombinase recombination" + "mutation induced by quinhydrone exposure" + "mutation induced by MRT007 male recombination" + "mutation induced by 1,6-dimethylsulfonoxy L-mannitol exposure" + "mutation induced by diepoxybutane exposure" + "reporter of signal transduction pathway activity" + "optogenetic neuron inhibition tool" + "mutation induced by epoxy hydrocarbon exposure" + "reporter of biological process pathway activity" + "mutation induced by iodine exposure" + "mutation induced by benzo(alpha)pyrene exposure" + "mutation induced by piggyBac activity" + "mutation induced by 2,5-bis(ethyleneimino)-1,4-benzoquinone exposure" + "Book Reviews" + "mutation induced by HMPA exposure" + "mutation induced by hexamethylphosphoramide exposure" + "mutation induced by heat treatment" + "mutation induced by ethyl nitrosourea exposure" + "mutation induced by ENU exposure" + "mutation induced by neutron irradiation" + "mutation induced by hesperidine exposure" + "hypomorph" + "mutation induced by 137Cs gamma ray irradiation" + "mutation induced by jumpstarter mobilization" + "conditional gene product degradation tag" + "mutation induced by 2-fluoroethyl methanesulfonate exposure" + "change induced by I-SceI endonuclease cleavage" + "mutation induced by intralocus exchange" + "mutation induced by 60Co gamma ray irradiation" + "mutation induced by 1,2-dibromoethane exposure" + "conditional mifepristone" + "conditional RU486" + "mutation induced by MNU exposure" + "mutation induced by nitrosomethyl urea exposure" + "site-specific recombinase" + "mutation induced by supersonic irradiation" + "species stock center" + "landing site element" + "docking site element" + "change induced by I-CreI endonuclease cleavage" + "mutation induced by P-element activity" + "germ-line clone" + "mutation induced by 1,6-dimethylsulfonoxy D-mannitol exposure" + "mutation induced by aminopterin exposure" + "Bloomington" + "recombination-mediated cassette exchange donor element" + "mutation induced by p-N,N-di-(2-chloroethyl)aminophenylbutyric acid exposure" + "mutation induced by chlorambucil exposure" + "chlorambucil" + "change induced by ends-out gene targeting" + "mutation induced by Hobo transposase source HBL1" + "mutation induced by DNA treatment" + "mutation induced by p-p'-N,N-di(2-chloroethyl)aminophenoxyphenylalanine exposure" + "poetry" + "electrically signalling cell inhibition tool" + "Vienna" + "VDRC" + "mutation induced by MRh12 male recombination" + "isolation tag" + "change induced by an in vitro construct - deletion" + "mutation induced by triethylenemelamine exposure" + "Academic Dissertations" + "Meeting Abstracts" + "small molecule-dependent gene product degradation tag" + "small molecule-regulated gene product degradation tag" + "mutation induced by HMM exposure" + "mutation induced by hexamethylmelamine exposure" + "mutation induced by cold treatment" + "cell cycle-regulated gene product degradation tag" + "mutation induced by Stalker element activity" + "mutation induced by I-element activity" + "mutation induced by temperature treatment" + "mutation induced by deuteron irradiation" + "mutation induced by formaldehyde exposure" + "mutation induced by gypsy element activity" + "mutation induced by 2-methoxyethanol exposure" + "small molecule-dependent activity regulation tag" + "peptidase" + "mutation induced by p-N,N-di-(2-chloroethyl)amino-L-phenylalanine exposure" + "mutation induced by 2-chloroethyl methanesulfonate exposure" + "mutation induced by Bevatron irradiation" + "mutation induced by fagaronine exposure" + "single-nucleus RNA sequencing assay" + "snRNA-Seq" + "in vitro construct | other" + "mutation induced by gamma ray irradiation" + "mutation induced by ICR 170 exposure" + "change induced by Bxb1 integrase recombination" + "Unpublished Works" + "mutation induced by natural gas exposure" + "mutation induced by EMS exposure" + "mutation induced by ethyl methanesulfonate exposure" + "mutation induced by stratosphere irradiation" + "mutation induced by sodium fluoride exposure" + "mutation induced by quinacrine mustard exposure" + "small-molecule regulated split driver fragment" + "cs" + "conditional cs" + "conditional - cold sensitive" + "mutation induced by methoxy diethylnitrosamine exposure" + "mutation induced by N-methyl-N'-nitro-N-nitrosoguanidine exposure" + "mutation induced by Stalker-hybrid dysgenesis" + "change induced by gene conversion" + "mutation induced by enzyme inhibitor exposure" + "recombination-mediated cassette exchange target element" + "mutation induced by 1,4-dimethanesulfonoxybutane exposure" + "mutation induced by busulfan exposure" + "mutation induced by minos activity" + "mutation induced by hobo dysgenesis" + "mutation induced by IR-hybrid dysgenesis" + "mutation induced by 1,4-dimethanesulfonoxybut-2-yne exposure" + "mutation induced by 5-bromouridine exposure" + "mutation induced by 5-bromouracil exposure" + "electrically signalling cell activity regulation tool" + "molecular null" + "NES" + "mutation induced by an in vitro construct - site directed mutagenesis" + "change induced by gene targeting via homologous recombination" + "mutation induced by dimethyl sulfoxide exposure" + "gene product degradation tag" + "supernumerary" + "mutation induced by mariner activity" + "mutation induced by triaziquone exposure" + "mutation induced by p-N,N-di-(2-chloroethyl)aminophenylethylamine exposure" + "Retraction of Publication" + "CALI tag" + "mutation induced by radio waves irradiation" + "tritiated thymidine" + "mutation induced by 3H-thymidine irradiation" + "mutation induced by ethylene oxide exposure" + "change induced by an in vitro construct - RNAi" + "gene product activation state detection tool" + "change induced by FLPase recombination" + "mutation induced by detachment" + "change induced by an in vitro construct - amino acid replacement" + "mutation induced by mitomycin C exposure" + "cysteinium" + "alpha-amino-acid anion" + "uracil" + "Uracil" + "URACIL" + "Carbamic acid" + "CARBAMIC ACID" + "Cyclic ketone" + "N-Methyl-N-nitrosourea" + "organobromine compound" + "Carboxylic ester" + "sulfates" + "2-METHOXYETHANOL" + "Sulfurous acid" + "hydroxyether" + "Quinacrine" + "pnictogen hydride" + "N-Nitrosodiethylamine" + "Ester" + "electron" + "phosphorus oxoacid" + "Hydrogen fluoride" + "chalcocarbonic acid" + "guanine" + "Guanine" + "GUANINE" + "Hydroquinone" + "hydroquinone" + "amino-acid cation" + "Busulfan" + "THYMIDINE" + "thymidine" + "Thymidine" + "phosphorus oxoanion" + "dicarboxylic acid anion" + "boron oxoanion" + "glutamate(2-)" + "Actinomycin D" + "Dimethyl sulfoxide" + "DIMETHYL SULFOXIDE" + "dimethyl sulfoxide" + "polar amino acid" + "cyclic hydrocarbon" + "copper group molecular entity" + "Heterocyclic compound" + "central nervous system stimulant" + "chemical entity" + "D-glutamate(1-)" + "Phenylalanine" + "phenylalanine" + "pnictogen molecular entity" + "hexamethylphosphoric triamide" + "cofactor" + "Glutamic acid" + "cysteinate(2-)" + "1,4-benzoquinone" + "1,4-Benzoquinone" + "Base" + "base" + "Valeric acid" + "Hesperetin" + "N-Methyl-N'-nitro-N-nitrosoguanidine" + "Fatty acid" + "nitrogen group" + "oxygen molecular entity" + "Oligosaccharide" + "HYDROXY GROUP" + "hydroxy group" + "alkylbenzene" + "sulfoxide" + "Thymine" + "thymine" + "THYMINE" + "dicarboxylic acid dianion" + "amino acid zwitterion" + "Aziridine" + "ortho-fused polycyclic hydrocarbon" + "boron oxoacid" + "SULFO GROUP" + "hydroxyflavanone" + "Urethane" + "urethane" + "Methanesulfonic acid" + "Alkane" + "Alcohol" + "Chloride" + "chloride" + "Dicarboxylic acid" + "boric acid" + "Boric acid" + "BORIC ACID" + "organochlorine compound" + "L-Phenylalanine" + "borate ion" + "1H-purine" + "carbon group molecular entity" + "sulfur oxoanion" + "L-glutamate(1-)" + "Hydrogencarbonate" + "hydrogencarbonate" + "octane" + "Octane" + "sulfate" + "Sulfate" + "D-alpha-amino acid" + "Lipid" + "primary amide" + "d-block molecular entity" + "Benzo[a]pyrene" + "elemental halogen" + "oxide" + "Hydron" + "cysteine zwitterion" + "carbonyl group" + "1,2-dichloroethane" + "1,2-DICHLOROETHANE" + "1,2-Dichloroethane" + "CHLORAMBUCIL" + "Chlorambucil" + "Sodium fluoride" + "cysteinate(1-)" + "D-PHENYLALANINE" + "D-Phenylalanine" + "Fluoride" + "fluoride" + "rutinoside" + "4-aminofolic acid" + "ortho-fused bicyclic hydrocarbon" + "Lucanthone" + "purine nucleobase" + "Hesperidin" + "heterotricyclic compound" + "acyl group" + "FORMYL GROUP" + "Sulfuric acid" + "sulfuric acid" + "ortho-fused bicyclic arene" + "Aromatic amino acid" + "benzylic group" + "ion" + "Ion" + "5-bromouridine" + "boron molecular entity" + "Mitomycin C" + "OXO GROUP" + "sulfuric acid derivative" + "Ribonucleoside" + "Xenobiotic" + "BENZENE" + "benzene" + "Benzene" + "Donor" + "L-Glutamic acid" + "Cation" + "cation" + "hydrogen halide" + "molecule" + "Cysteine" + "cysteine" + "Hydrogen chloride" + "platinum molecular entity" + "Naphthalene" + "naphthalene" + "NAPHTHALENE" + "Copper(II) sulfate" + "pyrimidine nucleobase" + "hydrocarbyl group" + "formate" + "copper molecular entity" + "oxoanion" + "s-block molecular entity" + "quinacrine mustard" + "TOLUENE" + "Toluene" + "toluene" + "Deoxyribonucleic acid" + "organofluorine compound" + "carboxylic acid dianion" + "Cisplatin" + "9H-purine" + "halogen molecular entity" + "Alkaloid" + "Peptide" + "Disaccharide" + "Ketone" + "saturated fatty acid" + "sulfonic acid derivative" + "pnictogen oxoanion" + "Caffeine" + "CAFFEINE" + "caffeine" + "Carbonic acid" + "organooxygen compound" + "alpha-amino-acid cation" + "platinum coordination entity" + "L-alpha-amino acid" + "naphthol" + "iminium ion" + "bromine molecular entity" + "Formic acid" + "FORMIC ACID" + "sulfur molecular entity" + "2-Naphthol" + "2-naphthol" + "bis(2-chloroethyl) sulfide" + "Amide" + "Ammonia" + "AMMONIA" + "vitamin B9" + "Dibenz[a,h]anthracene" + "cysteine derivative" + "ETHANE" + "D-glutamate(2-)" + "sulfurous acid derivative" + "carbonate" + "Hycanthone" + "FORMALDEHYDE" + "Formaldehyde" + "formaldehyde" + "D-Glutamic acid" + "CARBOXY GROUP" + "Actinomycin" + "fluorine molecular entity" + "methanesulfonate" + "chalcogen molecular entity" + "sulfur oxoacid derivative" + "carboximidic acid" + "chalcogen oxoanion" + "ammonium" + "carbamate" + "N-Nitrosodimethylamine" + "Fagaronine" + "chalcogen oxoacid" + "urea" + "Urea" + "UREA" + "Diethyl ether" + "GUANIDINE" + "amino-acid anion" + "Benzenediol" + "phosphoric acid" + "Phosphoric acid" + "straight-chain saturated fatty acid" + "aldehyde" + "Aldehyde" + "sulfite" + "carbon oxoanion" + "1,2-dibromoethane" + "1,2-Dibromoethane" + "flour treatment agent" + "xanthine" + "Epoxide" + "Nucleoside" + "Flavonoid" + "Fatty acid anion" + "cyclic ether" + "butane" + "organochalcogen compound" + "Acceptor" + "2-aminopurines" + "quinone" + "Acid" + "tretamine" + "nucleon" + "Polynucleotide" + "Pteroic acid" + "nickel group molecular entity" + "rhamnosylglucoside" + "organosulfur compound" + "imidic acid" + "L-glutamate(2-)" + "anion" + "Anion" + "glutamate(1-)" + "monocyclic hydrocarbon" + "hydrogensulfate" + "amidine" + "chloroalkane" + "jumping defective" + "small body" + "reduced body size" + "reduced rate of proboscis extension reflex" + "cell growth defective" + "reduced size" + "optomotor response defective" + "optomotor behaviour defective" + "stress response defective" + "reduced rate of flight behavior" + "neuroanatomy defective" + "endomitotic cell cycle defective" + "endocycle defective" + "behavior defective" + "behavioural" + "behaviour defective" + "reduced efficacy of short-term memory" + "song production defective" + "song defective" + "singing defective" + "developmental rate defective" + "cell adhesion defective" + "reduced cell number" + "reduced cell death" + "body size defective" + "reduced occurrence of cell division" + "visual behaviour defective" + "visual behavior defective" + "DNA repair defective" + "cell number defective" + "semi-lethal" + "diapause defective" + "sex-determination defective" + "melanotic 'tumor'" + "cell cycle defective" + "temperature response defective" + "gravitaxis defective" + "touch perception defective" + "reduced rate of feeding behavior" + "chemosensitive behaviour defective" + "chemosensitive behavior defective" + "abnormal chemosensitive behavior" + "reduced efficacy of medium-term memory" + "cell polarity defective" + "lethal - all die before end of third instar larval stage" + "flight defective" + "reduced rate of locomotory behavior" + "reduced fecundity" + "sleep defective" + "reduced rate of movement" + "hypoactive" + "female sterile germ-line-dependent" + "osmotic stress response defective" + "reduced rate of jump response" + "reduced rate of cell adhesion" + "reduced efficacy of long-term memory" + "reduced rate of grooming behavior" + "cell size defective" + "jump response defective" + "cell migration defective" + "eclosion defective" + "improved learning" + "reduced speed of aging" + "impaired memory" + "reduced efficacy of memory" + "taste perception defective" + "taste defective" + "gustation defective" + "wound healing defective" + "reduced rate of adult locomotory behavior" + "cell shape defective" + "male sterile germ-line-dependent" + "cell death defective" + "learning defective" + "oviposition defective" + "eye colour defective" + "eye color defective" + "reproductive diapause defective" + "cold stress response defective" + "improved memory" + "smell perception defective" + "olfaction defective" + "meiotic cell cycle defective" + "oxidative stress response defective" + "visual perception defective" + "reduced rate of adult walking behavior" + "eclosion rhythm defective" + "pain response defective" + "reduced cell growth rate" + "immune response defective" + "increased rate of chemosensitive behavior" + "embryonic lethal" + "reduced cell size" + "mitotic cell cycle defective" + "reduced rate of copulation" + "mating defective" + "aging defective" + "feeding behaviour defective" + "feeding behavior defective" + "reduced rate of larval locomotory behavior" + "mating behavior defective" + "hyperactive" + "reduced efficacy of learning" + "impaired learning" + "phototaxis defective" + "circadian behavior defective" + "reduced efficacy of anesthesia-resistant memory" + "thermotaxis defective" + "thermotaxis behaviour defective" + "thermotaxis behavior defective" + "tarsal response defective" + "reduced rate of mating behavior" + "size defective" + "locomotor behaviour defective" + "locomotor behavior defective" + "memory defective" + "planar polarity defective" + "auditory perception defective" + "semi-viable" + "reduced rate of courtship behavior" + "neurophysiology defective" + "reduced sleep" + "proboscis extension reflex defective" + "abnormal exocytosis" + "mating rhythm defective" + "body colour defective" + "body color defective" + "courtship behavior defective" + "lethal - all die before end of pharate adult stage" + "reduced body weight" + "heat stress response defective" + "circadian rhythm defective" + "grooming behaviour defective" + "grooming behavior defective" + "starvation stress response defective" + "axis specification defective" + "copulation defective" + "large body" + "cytokinesis defective" + "increased adult mortality" + "sensory perception defective" + "abnormal endocytosis" + "dorsal/ventral axis specification defective" + "phenotypic class" + "reduced rate of phototaxis" + "locomotor rhythm defective" + "touch sensitivity defective" + "touch response defective" + "reduced rate of chemosensory behavior" + "decreased rate of chemosensitive behavior" + "hyperplastic" + "hatching behaviour defective" + "hatching behavior defective" diff --git a/src/ontology/reports/xrefs.tsv b/src/ontology/reports/xrefs.tsv new file mode 100644 index 0000000..0b1d80d --- /dev/null +++ b/src/ontology/reports/xrefs.tsv @@ -0,0 +1,701 @@ +?cls ?xref + "MeSH:D017203" + "MeSH:D020492" + "MI:0732" + "MeSH:D016428" + "PATO:0001631" + "EFO:0008913" + "OBI:0002631" + "MeSH:D016420" + "PATO:0000303" + "PATO:0001227" + "MI:0733" + "PATO:0001633" + "EFO:0011026" + "PATO:0000462" + "MeSH:D016417" + "MeSH:D016433" + "PATO:0000304" + "PATO:0000438" + "PATO:0000049" + "MeSH:D019991" + "MeSH:D058537" + "MeSH:D016423" + "EFO:0009128" + "MeSH:D020480" + "MeSH:D016425" + "MI:0368" + "MeSH:D019519" + "SO:0001477" + "SO:0001527" + "PATO:0001759" + "MeSH:D020493" + "PATO:0002259" + "EFO:0009129" + "PATO:0001196" + "PATO:0001512" + "MeSH:D022921" + "PATO:0001772" + "MeSH:D016454" + "MeSH:D016421" + "MeSH:D018431" + "MeSH:D055821" + "MeSH:D016422" + "MeSH:D019478" + "MeSH:D016416" + "PATO:0001195" + "EFO:0009091" + "EFO:0009809" + "MeSH:D022902" + "MI:0687" + "EFO:0008896" + "MI:0365" + "PATO:0001233" + "EFO:0008947" + "SO:0001531" + "MeSH:D020490" + "PATO:0001234" + "PATO:0001632" + "SO:0000418" + "PATO:0000628" + "MeSH:D016440" + "XCO:0000194" + "MeSH:D019215" + "SO:0001479" + "MeSH:D016431" + "KEGG:C19432" + "KEGG:D00027" + "PDBeChem:URA" + "MetaCyc:URACIL" + "DrugBank:DB03419" + "KEGG:C00106" + "Wikipedia:Uracil" + "KNApSAcK:C00001513" + "HMDB:HMDB0000300" + "Wikipedia:Insecticide" + "Wikipedia:Carbamic_acid" + "DrugBank:DB04261" + "PDBeChem:OUT" + "KEGG:C01563" + "KEGG:C02019" + "KEGG:C14595" + "Wikipedia:N-Methyl-N-nitrosourea" + "MetaCyc:Bromide" + "Wikipedia:Organobromine_compound" + "Wikipedia:Ester" + "KEGG:C02391" + "KEGG:C06060" + "PPDB:1639" + "PDBeChem:MXE" + "MetaCyc:2-METHOXYETHANOL" + "Wikipedia:2-Methoxyethanol" + "DrugBank:DB02806" + "PDBeChem:SO3" + "KNApSAcK:C00019662" + "KEGG:C00094" + "DrugBank:DB01103" + "KEGG:D08179" + "Wikipedia:Quinacrine" + "MetaCyc:ATABRINE" + "LINCS:LSM-1577" + "KEGG:C07339" + "HMDB:HMDB0015235" + "Wikipedia:Antiprotozoal_agent" + "WebElements:C" + "KEGG:C06265" + "KEGG:D00369" + "Patent:US3032585" + "Wikipedia:Melphalan" + "Patent:US3032584" + "Patent:US275057" + "Patent:US108552" + "DrugBank:DB01042" + "KEGG:C14422" + "KEGG:C00287" + "Wikipedia:Ester" + "Wikipedia:Electron" + "KEGG:C05359" + "Wikipedia:Explosive_material" + "PDBeChem:CU" + "Wikipedia:Mineral_acid" + "Wikipedia:Amino_acid" + "KEGG:C16487" + "Wikipedia:Allergen" + "KNApSAcK:C00001501" + "PDBeChem:GUN" + "KEGG:C00242" + "DrugBank:DB02377" + "Wikipedia:Guanine" + "HMDB:HMDB0000132" + "MetaCyc:GUANINE" + "KEGG:D00073" + "KNApSAcK:C00002656" + "PPDB:1503" + "KEGG:C15603" + "KEGG:C00530" + "HMDB:HMDB0002434" + "MetaCyc:HYDROQUINONE" + "Wikipedia:Hydroquinone" + "Wikipedia:Base_analog" + "Wikipedia:Busulfan" + "DrugBank:DB01008" + "KEGG:C06862" + "Patent:US2917432" + "LINCS:LSM-5388" + "KEGG:D00248" + "Wikipedia:Phenylpropanoid" + "PDBeChem:THM" + "HMDB:HMDB0000273" + "MetaCyc:THYMIDINE" + "KEGG:C00214" + "DrugBank:DB04485" + "Wikipedia:Thymidine" + "KNApSAcK:C00019698" + "Wikipedia:B_vitamin" + "MetaCyc:B-vitamins" + "Wikipedia:Ethyl_methanesulfonate" + "KEGG:C19239" + "Wikipedia:Glutamine_synthetase" + "Wikipedia:Chemosterilant" + "KEGG:C00070" + "WebElements:Cu" + "DrugBank:DB00970" + "KEGG:C06770" + "Wikipedia:Dactinomycin" + "KEGG:D00214" + "LINCS:LSM-5783" + "Wikipedia:Dimethyl_sulfoxide" + "DrugBank:DB01093" + "KEGG:C11143" + "HMDB:HMDB0002151" + "PDBeChem:DMS" + "MetaCyc:DMSO" + "LINCS:LSM-36361" + "KNApSAcK:C00053120" + "FooDB:FDB000764" + "KEGG:D01043" + "Chemspider:659" + "MetaCyc:Polar-amino-acids" + "WebElements:Na" + "KEGG:C01330" + "Wikipedia:Central_nervous_system_stimulants" + "MetaCyc:D-GLT" + "KEGG:C02057" + "Wikipedia:Phenylalanine" + "KEGG:C19250" + "Wikipedia:Cofactor_(biochemistry)" + "Wikipedia:Glutamic_acid" + "KNApSAcK:C00001358" + "KNApSAcK:C00019577" + "KEGG:D04341" + "KEGG:C00302" + "MetaCyc:Organohalogen-Compounds" + "KEGG:C01322" + "MetaCyc:P-BENZOQUINONE" + "PDBeChem:PLQ" + "HMDB:HMDB0003364" + "KEGG:C00472" + "KEGG:C15602" + "Wikipedia:1,4-Benzoquinone" + "KEGG:C00701" + "Wikipedia:Valeric_acid" + "HMDB:HMDB0000892" + "PPDB:3130" + "DrugBank:DB02406" + "PDBeChem:LEA" + "KEGG:C00803" + "KNApSAcK:C00001208" + "HMDB:HMDB0005782" + "KNApSAcK:C00000968" + "Wikipedia:Hesperetin" + "LINCS:LSM-20933" + "KEGG:C01709" + "MetaCyc:CPD-7072" + "DrugBank:DB01094" + "KEGG:C14592" + "Wikipedia:Fatty_acid" + "KEGG:C00162" + "Wikipedia:Food_additive" + "PDBeChem:2HP" + "DrugBank:DB02831" + "KEGG:C00930" + "PDBeChem:OH" + "Wikipedia:Thymine" + "DrugBank:DB03462" + "PDBeChem:TDR" + "KEGG:C00178" + "KNApSAcK:C00001511" + "PDBeChem:PO4" + "PDBeChem:PI" + "MolBase:1628" + "Wikipedia:https://en.wikipedia.org/wiki/Gas" + "Wikipedia:Subatomic_particle" + "Wikipedia:Agrochemical" + "KEGG:C06061" + "Wikipedia:Solvent" + "KEGG:C11687" + "PDBeChem:SFO" + "MetaCyc:Phenolic-Donors" + "Wikipedia:Oxidoreductase" + "Wikipedia:Reverse-transcriptase_inhibitor" + "LINCS:LSM-37020" + "Wikipedia:Ethyl_carbamate" + "DrugBank:DB04827" + "HMDB:HMDB0031219" + "KEGG:C01537" + "Wikipedia:Methanesulfonic_acid" + "MetaCyc:CPD-3746" + "KEGG:C11145" + "MetaCyc:CPD-216" + "KEGG:C01371" + "KEGG:C15587" + "HMDB:HMDB0001366" + "Wikipedia:Genotoxicity" + "KEGG:C00069" + "Wikipedia:Carboxylic_acid" + "Wikipedia:Antiparasitic" + "Wikipedia:Adenosine_receptor" + "Wikipedia:Antifolate" + "KEGG:C00115" + "KEGG:C00698" + "PDBeChem:CL" + "Wikipedia:Telbivudine" + "KEGG:D06675" + "DrugBank:DB01265" + "Wikipedia:Receptor_modulator" + "KEGG:C02028" + "MolBase:1644" + "PDBeChem:BO3" + "KEGG:C12486" + "PPDB:2136" + "KEGG:D01089" + "BPDB:2136" + "MetaCyc:Chlorides" + "Wikipedia:Organochloride" + "KEGG:D00021" + "MetaCyc:PHE" + "ECMDB:ECMDB00159" + "DrugBank:DB00120" + "KNApSAcK:C00001386" + "YMDB:YMDB00304" + "PDBeChem:PHE" + "Wikipedia:Phenylalanine" + "HMDB:HMDB0000159" + "KEGG:C00079" + "Wikipedia:1,4-Butanediol" + "DrugBank:DB01955" + "PDBeChem:BU1" + "Wikipedia:Borate" + "Patent:DE481819" + "Wikipedia:Tetraphene" + "KEGG:C14317" + "Patent:DE486766" + "LINCS:LSM-5355" + "FooDB:FDB014504" + "Chemspider:5815" + "KEGG:C00504" + "KNApSAcK:C00001539" + "Wikipedia:Folic_Acid" + "PDBeChem:FOL" + "HMDB:HMDB0000121" + "MetaCyc:CPD-12826" + "KEGG:D00070" + "DrugBank:DB00158" + "KEGG:C00050" + "Wikipedia:Metal" + "Wikipedia:Polycyclic_aromatic_hydrocarbon" + "KEGG:C03216" + "KEGG:C02269" + "Wikipedia:Nitroguanidine" + "MetaCyc:GLT" + "MetaCyc:HCO3" + "KEGG:C00288" + "Wikipedia:Bicarbonate" + "HMDB:HMDB0000595" + "PDBeChem:BCT" + "MetaCyc:CPD-148" + "PDBeChem:OCT" + "HMDB:HMDB0001485" + "DrugBank:DB02440" + "Wikipedia:Octane" + "KEGG:C01387" + "Patent:US3424752" + "Patent:DE1240870" + "Wikipedia:Altretamine" + "LINCS:LSM-3492" + "Wikipedia:Poison" + "KEGG:C00059" + "HMDB:HMDB0001448" + "MetaCyc:SULFATE" + "PDBeChem:SO4" + "KEGG:D05963" + "Wikipedia:Sulfate" + "KEGG:C00405" + "KEGG:C00701" + "Wikipedia:Nucleobase" + "KEGG:C01356" + "Wikipedia:Hydrolase" + "Wikipedia:Essential_oil" + "Wikipedia:Methyl_methanesulfonate" + "KEGG:C19181" + "MetaCyc:CPD-7038" + "Wikipedia:Benzo(a)pyrene" + "KEGG:C07535" + "LINCS:LSM-2198" + "WebElements:I" + "Wikipedia:Diol" + "KEGG:C00080" + "MetaCyc:12-DICHLOROETHANE" + "PPDB:2774" + "KEGG:C06752" + "PDBeChem:DCE" + "Wikipedia:1,2-Dichloroethane" + "HMDB:HMDB0029571" + "DrugBank:DB03733" + "MetaCyc:Peptide-Antibiotics" + "Wikipedia:Immunotherapy" + "LINCS:LSM-2645" + "KEGG:D00266" + "DrugBank:DB00291" + "Wikipedia:Chlorambucil" + "PDBeChem:CBL" + "KEGG:C08142" + "KEGG:D00943" + "Wikipedia:Sodium_Fluoride" + "Wikipedia:Nitrosamine" + "MetaCyc:3-Hydroxy-Flavanones" + "YMDB:YMDB00995" + "PDBeChem:DPN" + "ECMDB:ECMDB20144" + "MetaCyc:CPD-216" + "DrugBank:DB02556" + "KEGG:C02265" + "Wikipedia:Adenosine_A2A_receptor" + "KEGG:C19162" + "KEGG:C03169" + "Wikipedia:Neurotransmitter" + "PDBeChem:F" + "KEGG:C00742" + "Wikipedia:Neurotoxin" + "KEGG:C00007" + "WebElements:O" + "Wikipedia:Cosmetics" + "Wikipedia:Flavonoids" + "KEGG:C11715" + "HMDB:HMDB0015607" + "Wikipedia:Lucanthone" + "DrugBank:DB04967" + "KEGG:C15587" + "KEGG:D01038" + "HMDB:HMDB0003265" + "KNApSAcK:C00000970" + "MetaCyc:CPD-7075" + "DrugBank:DB04703" + "LINCS:LSM-2858" + "KEGG:C09755" + "Wikipedia:Hesperidin" + "KEGG:C00462" + "Wikipedia:Fumigation" + "PDBeChem:FOR" + "PPDB:606" + "KEGG:D05963" + "KEGG:C00059" + "MolBase:4" + "Wikipedia:Sulfuric_acid" + "KNApSAcK:C00007530" + "KEGG:C01021" + "Wikipedia:Aromatic_amino_acid" + "Wikipedia:Mutagen" + "Wikipedia:Trypanothione-disulfide_reductase" + "KEGG:C11481" + "PDBeChem:SO3" + "WebElements:N" + "Wikipedia:Proteinogenic_amino_acid" + "Wikipedia:Mitomycin" + "DrugBank:DB00305" + "LINCS:LSM-6310" + "KEGG:C06681" + "KEGG:D00208" + "KNApSAcK:C00018668" + "PDBeChem:O" + "KEGG:C00911" + "KEGG:C06708" + "Wikipedia:Xenobiotic" + "HMDB:HMDB0001505" + "KEGG:C01407" + "PDBeChem:BNZ" + "Wikipedia:Benzene" + "Wikipedia:Alkaline_phosphatase" + "MetaCyc:Pyrimidine-Deoxyribonucleosides" + "KEGG:C01351" + "PDBeChem:GLU_LFOH" + "KEGG:C00025" + "BPDB:2297" + "MetaCyc:GLT" + "KNApSAcK:C00001358" + "Wikipedia:L-Glutamic_Acid" + "DrugBank:DB00142" + "HMDB:HMDB0000148" + "LINCS:LSM-36375" + "KEGG:D00007" + "KEGG:C01373" + "Wikipedia:Cysteine" + "KNApSAcK:C00001351" + "KEGG:C00736" + "KNApSAcK:C00007323" + "MetaCyc:PURINE" + "KEGG:C15587" + "HMDB:HMDB0001366" + "Wikipedia:HCl" + "MetaCyc:HCL" + "KEGG:D02057" + "KEGG:C01327" + "HMDB:HMDB0002306" + "Wikipedia:Hydrochloric_acid" + "PPDB:1312" + "HMDB:HMDB0029751" + "MetaCyc:NAPHTHALENE" + "KNApSAcK:C00001259" + "PDBeChem:NPY" + "KEGG:C00829" + "Wikipedia:Naphthalene" + "Wikipedia:Skin_whitening" + "Wikipedia:Copper(II)_sulfate" + "KEGG:C18713" + "PPDB:178" + "Wikipedia:Benzopyran" + "Wikipedia:Cyclic_compound" + "KEGG:C19542" + "KEGG:D07254" + "Wikipedia:Triaziquone" + "MetaCyc:FORMATE" + "KEGG:C00058" + "HMDB:HMDB0000142" + "Wikipedia:Formate" + "Wikipedia:Endocrine_disruptor" + "Wikipedia:Topoisomerase" + "DrugBank:DB01900" + "KEGG:C01455" + "Wikipedia:Toluene" + "PDBeChem:MBN" + "Wikipedia:Sulfite" + "KEGG:C00039" + "Wikipedia:Transferase" + "MetaCyc:Fluorides" + "Wikipedia:Metalloid" + "KEGG:D00275" + "HMDB:HMDB0014656" + "Patent:DE2318020" + "MetaCyc:CPD0-1392" + "Wikipedia:Cisplatin" + "DrugBank:DB00515" + "MolBase:25" + "Patent:DE2329485" + "KEGG:C06911" + "Wikipedia:Purine" + "Wikipedia:Refrigerant" + "Wikipedia:Diethyl_sulfate" + "KEGG:C14706" + "HMDB:HMDB0251240" + "Chemspider:5931" + "Wikipedia:Dihydrofolate_reductase_inhibitor" + "Wikipedia:Vitamin" + "Wikipedia:Carbohydrate" + "Wikipedia:Alkaloid" + "KEGG:C00012" + "KEGG:C01911" + "KEGG:C01450" + "Wikipedia:Ketone" + "LINCS:LSM-2026" + "MetaCyc:1-3-7-TRIMETHYLXANTHINE" + "KEGG:C07481" + "PDBeChem:CFF" + "Wikipedia:Caffeine" + "KNApSAcK:C00001492" + "KEGG:D00528" + "DrugBank:DB00201" + "HMDB:HMDB0001847" + "PDBeChem:CO3" + "KEGG:C01353" + "Wikipedia:Non-proteinogenic_amino_acids" + "Wikipedia:Pesticide" + "KEGG:C00151" + "Wikipedia:Ligase" + "Wikipedia:Prodrug" + "Wikipedia:Macromolecule" + "BPDB:1749" + "HMDB:HMDB0000142" + "Wikipedia:Formic_acid" + "MetaCyc:FORMATE" + "Patent:CN101481304" + "KEGG:C00058" + "KNApSAcK:C00001182" + "PDBeChem:FMT" + "DrugBank:DB01942" + "MetaCyc:Alkanesulfonates" + "KEGG:C15521" + "MetaCyc:CPD-8131" + "PDBeChem:03V" + "HMDB:HMDB0012322" + "Wikipedia:2-Naphthol" + "KEGG:C11713" + "FooDB:FDB000877" + "KEGG:C19164" + "Wikipedia:Sulfur_mustard" + "KEGG:C00241" + "HMDB:HMDB0000051" + "MolBase:930" + "KNApSAcK:C00007267" + "KEGG:D02916" + "MetaCyc:AMMONIA" + "PDBeChem:NH3" + "Wikipedia:Ammonia" + "KEGG:C00014" + "KEGG:C14325" + "WebElements:Cl" + "Wikipedia:Ethane" + "MetaCyc:Alkanesulfonates" + "KEGG:C01330" + "PDBeChem:NA" + "PDBeChem:CO3" + "Patent:US3294803" + "LINCS:LSM-5614" + "Wikipedia:Hycanthone" + "KEGG:D00541" + "Patent:NL6410359" + "Patent:US3312598" + "MetaCyc:PHE" + "HMDB:HMDB0031305" + "Wikipedia:Oxirane" + "KEGG:D03474" + "KEGG:C06548" + "DrugBank:DB03843" + "PPDB:359" + "Wikipedia:Formaldehyde" + "KEGG:D00017" + "PDBeChem:FOR" + "KEGG:C00067" + "HMDB:HMDB0001426" + "MetaCyc:FORMALDEHYDE" + "Wikipedia:Psychotropic_drug" + "KEGG:C00217" + "PDBeChem:DGL" + "MetaCyc:D-GLT" + "DrugBank:DB02517" + "KNApSAcK:C00019577" + "HMDB:HMDB0003339" + "PDBeChem:FMT" + "KEGG:C01775" + "MetaCyc:CPD-3746" + "WebElements:P" + "KEGG:C06262" + "Wikipedia:Antimetabolite" + "Wikipedia:Blister_agent" + "Wikipedia:Ammonium" + "PDBeChem:NH4" + "MolBase:929" + "MetaCyc:AMMONIUM" + "KEGG:C01342" + "KEGG:C00297" + "PPDB:1645" + "MetaCyc:CPD-18996" + "HMDB:HMDB0031419" + "Wikipedia:N-Nitrosodimethylamine" + "KEGG:C14704" + "FooDB:FDB003496" + "Wikipedia:Acridine" + "Wikipedia:Mitomycin" + "KNApSAcK:C00001857" + "KEGG:C09438" + "Wikipedia:Halide" + "MetaCyc:FLAVANONES" + "Wikipedia:Flavanone" + "KEGG:C00086" + "PDBeChem:URE" + "Wikipedia:Urea" + "YMDB:YMDB00003" + "KNApSAcK:C00007314" + "HMDB:HMDB0000294" + "KEGG:D00023" + "ECMDB:ECMDB04172" + "MetaCyc:UREA" + "PPDB:1728" + "DrugBank:DB03904" + "KEGG:C13240" + "KEGG:D01772" + "Wikipedia:Diethyl_ether" + "Wikipedia:Mitotic_inhibitor" + "DrugBank:DB00536" + "PDBeChem:GAI" + "Wikipedia:Guanidine" + "KEGG:C01785" + "Wikipedia:Geroprotector" + "KEGG:D05467" + "KNApSAcK:C00007408" + "KEGG:C00009" + "Wikipedia:Phosphoric_Acid" + "HMDB:HMDB0002142" + "Wikipedia:Ryanodine_receptor" + "KEGG:C00071" + "KEGG:C00009" + "PDBeChem:SO3" + "KEGG:C11088" + "PPDB:1484" + "HMDB:HMDB0060334" + "MetaCyc:12-DIBROMOETHANE" + "Wikipedia:1,2-Dibromoethane" + "Wikipedia:Flour_treatment_agent" + "YMDB:YMDB00263" + "ECMDB:ECMDB00292" + "KNApSAcK:C00019660" + "Wikipedia:Epoxide" + "KEGG:C00722" + "KEGG:C00045" + "KEGG:C05167" + "Wikipedia:Astringent" + "KEGG:C00801" + "Wikipedia:Nucleoside" + "Wikipedia:Flavonoid" + "KEGG:C01579" + "WebElements:H" + "KEGG:C02403" + "Wikipedia:Ferroptosis" + "PDBeChem:NBU" + "Wikipedia:Butane" + "Wikipedia:Micronutrient" + "KEGG:C16722" + "KEGG:C00028" + "KEGG:C02850" + "Wikipedia:Glycol_ethers" + "Wikipedia:Quinone" + "KEGG:C00174" + "WebElements:S" + "KEGG:C00087" + "KEGG:D06527" + "PPDB:605" + "KEGG:C15584" + "MetaCyc:Phenols" + "Wikipedia:Phenols" + "KEGG:C07642" + "WebElements:Br" + "Wikipedia:Carbamate" + "WebElements:F" + "Patent:US2882209" + "Wikipedia:Daphnia" + "KEGG:C00419" + "KEGG:C00572" + "DrugBank:DB04196" + "KEGG:C19178" + "Wikipedia:ENU" + "Wikipedia:Organosulfur_compounds" + "Wikipedia:Volatile_organic_compound" + "Wikipedia:Nematicide" + "KEGG:C00060" + "LINCS:LSM-6449" + "HMDB:HMDB0015466" + "DrugBank:DB01394" + "KEGG:C06266" + "WebElements:B" + "Wikipedia:Amidase" + "WebElements:Pt" + "Wikipedia:Nitrogen_mustard"