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Copy pathKBase_Ganoderma_sp._draftModel-compounds.tsv
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KBase_Ganoderma_sp._draftModel-compounds.tsv
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id name formula charge inchikey smiles deltag kegg id ms id
cpd00242_e0 H2CO3 CHO3 1 BVKZGUZCCUSVTD-UHFFFAOYSA-M O=C([O-])O -140.26 C00288 cpd00242
cpd15283_c0 Phytosphingosine 1-phosphate C18H40NO6P 1 -308.98 cpd15283
cpd00780_c0 Fumarylacetoacetate C8H6O6 1 GACSIVHAIFQKTC-OWOJBTEDSA-L O=C([O-])C=CC(=O)CC(=O)CC(=O)[O-] -197.26 C01061 cpd00780
cpd00242_c0 H2CO3 CHO3 1 BVKZGUZCCUSVTD-UHFFFAOYSA-M O=C([O-])O -140.26 C00288 cpd00242
cpd11480_c0 D-3-Hydroxydodecanoyl-[acp] C12H23O2RS 1 C05757 cpd11480
M-c140car-c_c0 myristoyl-carnitine * 1 cpd00000
cpd02016_c0 N-Ribosylnicotinamide C11H15N2O5 1 JLEBZPBDRKPWTD-TURQNECASA-O N=C(O)c1ccc[n+](C2OC(CO)C(O)C2O)c1 -125.24 C03150 cpd02016
cpd02483_m0 cis-Homoaconitate C7H5O6 1 BJYPZFUWWJSAKC-ARJAWSKDSA-K O=C([O-])C=C(CCC(=O)[O-])C(=O)[O-] -220.66 C04002 cpd02483
cpd00722_c0 O-Acetyl-L-serine C5H9NO4 1 VZXPDPZARILFQX-BYPYZUCNSA-N CC(=O)OCC(N)C(=O)O -161.6 C00979 cpd00722
cpd00134_c0 Palmitoyl-CoA C37H63N7O17P3S 1 MNBKLUUYKPBKDU-BBECNAHFSA-J CCCCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -763.15 C00154 cpd00134
cpd00242_m0 H2CO3 CHO3 1 BVKZGUZCCUSVTD-UHFFFAOYSA-M O=C([O-])O -140.26 C00288 cpd00242
cpd13384_c0 1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate C11H16O19P3R2 1 C11556 cpd13384
cpd12115_e0 Arabinan C15H24O122 1 C02474 cpd12115
cpd00251_c0 ADPribose C15H21N5O14P2 1 SRNWOUGRCWSEMX-TYASJMOZSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OCC2OC(O)C(O)C2O)C(O)C1O -585.97 C00301 cpd00251
cpd00053_c0 L-Glutamine C5H10N2O3 1 ZDXPYRJPNDTMRX-VKHMYHEASA-N N=C(O)CCC(N)C(=O)O -121.69 C00064 cpd00053
cpd00053_e0 L-Glutamine C5H10N2O3 1 ZDXPYRJPNDTMRX-VKHMYHEASA-N N=C(O)CCC(N)C(=O)O -121.69 C00064 cpd00053
cpd02799_m0 Methylisocitrate C7H7O7 1 HHKPKXCSHMJWCF-WVBDSBKLSA-K CC(O)(C(=O)[O-])C(CC(=O)[O-])C(=O)[O-] -280.63 C04593 cpd02799
cpd00356_c0 dCTP C9H13N3O13P3 1 RGWHQCVHVJXOKC-SHYZEUOFSA-K N=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O2)c([O-])n1 -721.54 C00458 cpd00356
cpd11455_c0 ps_BS C8H11NO10PR2 1 C02737 cpd11455
cpd00029_m0 Acetate C2H3O2 1 QTBSBXVTEAMEQO-UHFFFAOYSA-M CC(=O)[O-] -88.29 C00033 cpd00029
cpd02799_c0 Methylisocitrate C7H7O7 1 HHKPKXCSHMJWCF-WVBDSBKLSA-K CC(O)(C(=O)[O-])C(CC(=O)[O-])C(=O)[O-] -280.63 C04593 cpd02799
cpd24509_c0 dihydrodemethylsterigmatocystin C17H12O6 1 WUSMTEDKVPWFDN-BWKAKNAASA-N O=c1c2c(O)cccc2oc2c3c(cc(O)c12)OC1OCCC31 -140.2 cpd24509
cpd11455_m0 ps_BS C8H11NO10PR2 1 C02737 cpd11455
cpd03847_e0 Myristic acid C14H27O2 1 TUNFSRHWOTWDNC-UHFFFAOYSA-M CCCCCCCCCCCCCC(=O)[O-] -67.31 C06424 cpd03847
cpd03847_c0 Myristic acid C14H27O2 1 TUNFSRHWOTWDNC-UHFFFAOYSA-M CCCCCCCCCCCCCC(=O)[O-] -67.31 C06424 cpd03847
cpd00053_m0 L-Glutamine C5H10N2O3 1 ZDXPYRJPNDTMRX-VKHMYHEASA-N N=C(O)CCC(N)C(=O)O -121.69 C00064 cpd00053
cpd02333_c0 Quinolinate C7H3NO4 1 GJAWHXHKYYXBSV-UHFFFAOYSA-L O=C([O-])c1cccnc1C(=O)[O-] -119.77 C03722 cpd02333
cpd00330_c0 Dihydrofolate C19H19N7O6 1 OZRNSSUDZOLUSN-LBPRGKRZSA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)=N2 -109.12 C00415 cpd00330
cpd11427_m0 CDP-diacylglycerol C14H17N3O15P2R2 1 C00269 cpd11427
cpd00348_c0 D-Galactose 1-phosphate C6H12O9P 1 HXXFSFRBOHSIMQ-FPRJBGLDSA-L O=P([O-])([O-])OC1OC(CO)C(O)C(O)C1O -430.78 C00446 cpd00348
cpd02339_c0 alpha-D-Glutamyl phosphate C5H9NO7P 1 YHMNHCAJNORJNE-GSVOUGTGSA-L NC(CCC(=O)[O-])C(=O)OP(=O)([O-])O -379.03 C03734 cpd02339
cpd11427_c0 CDP-diacylglycerol C14H17N3O15P2R2 1 C00269 cpd11427
cpd00330_m0 Dihydrofolate C19H19N7O6 1 OZRNSSUDZOLUSN-LBPRGKRZSA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)=N2 -109.12 C00415 cpd00330
M-c140car-m_m0 myristoyl-carnitine * 1 cpd00000
cpd00351_m0 Saccharopine C11H19N2O6 1 ZDGJAHTZVHVLOT-YUMQZZPRSA-M NC(CCCCNC(CCC(=O)[O-])C(=O)O)C(=O)O -229.72 C00449 cpd00351
cpd00106_m0 Fumarate C4H2O4 1 VZCYOOQTPOCHFL-OWOJBTEDSA-L O=C([O-])C=CC(=O)[O-] -143.7 C00122 cpd00106
cpd01298_m0 Aminoacetone C3H8NO 1 BCDGQXUMWHRQCB-UHFFFAOYSA-O CC(=O)C[NH3+] -36.68 C01888 cpd01298
cpd11211_c0 Dihydromonacolin L C19H30O3 1 AGNDLYBQPUJADV-VCWNUMGPSA-N CC1CCC2C(C=CC(C)C2CCC2CC(O)CC(=O)O2)C1 -54.34 C15536 cpd11211
cpd01298_c0 Aminoacetone C3H8NO 1 BCDGQXUMWHRQCB-UHFFFAOYSA-O CC(=O)C[NH3+] -36.68 C01888 cpd01298
cpd01157_e0 Chitobiose C16H28N2O11 1 CDOJPCSDOXYJJF-CBTAGEKQSA-N CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O -365.46 C01674 cpd01157
cpd00106_c0 Fumarate C4H2O4 1 VZCYOOQTPOCHFL-OWOJBTEDSA-L O=C([O-])C=CC(=O)[O-] -143.7 C00122 cpd00106
cpd11464_c0 Butyryl-ACP C4H7ORS 1 C05745 cpd11464
cpd00106_e0 Fumarate C4H2O4 1 VZCYOOQTPOCHFL-OWOJBTEDSA-L O=C([O-])C=CC(=O)[O-] -143.7 C00122 cpd00106
cpd01157_c0 Chitobiose C16H28N2O11 1 CDOJPCSDOXYJJF-CBTAGEKQSA-N CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O -365.46 C01674 cpd01157
cpd03284_c0 3-Sulfinopyruvate C3H2O5S 1 JXYLQEMXCAAMOL-UHFFFAOYSA-L O=C([O-])C(=O)CS(=O)[O-] C05527 cpd03284
cpd08625_c0 5-Hydroxyisourate C5H4N4O4 1 LTQYPAVLAYVKTK-UHFFFAOYSA-N O=C1N=C(O)C2(O)NC(O)=NC2=N1 -139.18 C11821 cpd08625
cpd03650_c0 Hexadecenal C16H30O 1 KLJFYXOVGVXZKT-CCEZHUSRSA-N CCCCCCCCCCCCCC=CC=O 9.44 C06123 cpd03650
cpd00215_c0 Pyridoxal C8H9NO3 1 RADKZDMFGJYCBB-UHFFFAOYSA-N Cc1ncc(CO)c(C=O)c1O -59.5 C00250 cpd00215
cpd00306_c0 Xylitol C5H12O5 1 HEBKCHPVOIAQTA-SCDXWVJYSA-N OCC(O)C(O)C(O)CO -189.02 C00379 cpd00306
cpd00306_e0 Xylitol C5H12O5 1 HEBKCHPVOIAQTA-SCDXWVJYSA-N OCC(O)C(O)C(O)CO -189.02 C00379 cpd00306
cpd00113_c0 Isopentenyldiphosphate C5H10O7P2 1 NUHSROFQTUXZQQ-UHFFFAOYSA-L C=C(C)CCOP(=O)(O)OP(=O)([O-])[O-] -439.84 C00129 cpd00113
M-cerb2d-c_c0 cerebrin 2 (comp. D) * 1 cpd00000
cpd00029_c0 Acetate C2H3O2 1 QTBSBXVTEAMEQO-UHFFFAOYSA-M CC(=O)[O-] -88.29 C00033 cpd00029
cpd00029_e0 Acetate C2H3O2 1 QTBSBXVTEAMEQO-UHFFFAOYSA-M CC(=O)[O-] -88.29 C00033 cpd00029
cpd01080_e0 ocdca C18H35O2 1 QIQXTHQIDYTFRH-UHFFFAOYSA-M CCCCCCCCCCCCCCCCCC(=O)[O-] -60.83 C01530 cpd01080
cpd00388_c0 Allantoate C4H7N4O4 1 NUCLJNSWZCHRKL-UHFFFAOYSA-M N=C(O)NC(NC(=N)O)C(=O)[O-] -166.94 C00499 cpd00388
cpd00405_c0 Hexadecanal C16H32O 1 NIOYUNMRJMEDGI-UHFFFAOYSA-N CCCCCCCCCCCCCCCC=O -11.37 C00517 cpd00405
cpd01080_c0 ocdca C18H35O2 1 QIQXTHQIDYTFRH-UHFFFAOYSA-M CCCCCCCCCCCCCCCCCC(=O)[O-] -60.83 C01530 cpd01080
cpd11456_c0 Phosphatidylethanolamine C7H12NO8PR2 1 C00350 cpd11456
cpd00559_c0 Supraene C30H50 1 YYGNTYWPHWGJRM-FZSSMNSJSA-N CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C 161.68 C00751 cpd00559
cpd11456_e0 Phosphatidylethanolamine C7H12NO8PR2 1 C00350 cpd11456
cpd03035_c0 4-methylzymosterol C28H46O 1 FOUJWBXBKVVHCJ-LQTHDRHKSA-N CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)C1CC3 44.2 C05103 cpd03035
cpd02557_m0 Farnesylfarnesylgeraniol C40H66O 1 BZORESSIXXHLNB-DJMILUHSSA-N CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO 177.95 C04146 cpd02557
cpd11491_c0 3-oxotetradecanoyl-acp C14H25O2RS 1 C05759 cpd11491
cpd16235_c0 hexadecenoyl-[acyl-carrier protein] C16H29ORS 1 C16520 cpd16235
cpd00285_c0 Phosphoethanolamine C2H8NO4P 1 SUHOOTKUPISOBE-UHFFFAOYSA-M NCCOP(=O)([O-])O -257.01 C00346 cpd00285
cpd00003_c0 NAD C21H26N7O14P2 1 BAWFJGJZGIEFAR-NNYOXOHSSA-M N=C([O-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1 -529.59 C00003 cpd00003
cpd00003_e0 NAD C21H26N7O14P2 1 BAWFJGJZGIEFAR-NNYOXOHSSA-M N=C([O-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1 -529.59 C00003 cpd00003
cpd00170_e0 Gluconolactone C6H10O6 1 PHOQVHQSTUBQQK-SQOUGZDYSA-N O=C1OC(CO)C(O)C(O)C1O -216.02 C00198 cpd00170
cpd00134_m0 Palmitoyl-CoA C37H63N7O17P3S 1 MNBKLUUYKPBKDU-BBECNAHFSA-J CCCCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -763.15 C00154 cpd00134
cpd00003_m0 NAD C21H26N7O14P2 1 BAWFJGJZGIEFAR-NNYOXOHSSA-M N=C([O-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1 -529.59 C00003 cpd00003
cpd11456_m0 Phosphatidylethanolamine C7H12NO8PR2 1 C00350 cpd11456
cpd00285_e0 Phosphoethanolamine C2H8NO4P 1 SUHOOTKUPISOBE-UHFFFAOYSA-M NCCOP(=O)([O-])O -257.01 C00346 cpd00285
cpd00236_e0 D-Erythrose4-phosphate C4H8O7P 1 NGHMDNPXVRFFGS-IUYQGCFVSA-L O=CC(O)C(O)COP(=O)([O-])[O-] -355.62 C00279 cpd00236
cpd00654_c0 Deoxycytidine C9H13N3O4 1 CKTSBUTUHBMZGZ-SHYZEUOFSA-N N=c1ccn(C2CC(O)C(CO)O2)c(O)n1 -93.04 C00881 cpd00654
cpd00236_c0 D-Erythrose4-phosphate C4H8O7P 1 NGHMDNPXVRFFGS-IUYQGCFVSA-L O=CC(O)C(O)COP(=O)([O-])[O-] -355.62 C00279 cpd00236
cpd00367_c0 Cytidine C9H13N3O5 1 UHDGCWIWMRVCDJ-XVFCMESISA-N N=c1ccn(C2OC(CO)C(O)C2O)c(O)n1 -132.88 C00475 cpd00367
cpd00203_c0 1,3-Bisphospho-D-glycerate C3H6O10P2 1 LJQLQCAXBUHEAZ-UWTATZPHSA-J O=C(OP(=O)([O-])[O-])C(O)COP(=O)([O-])[O-] -586.8 C00236 cpd00203
cpd00225_c0 Benzaldehyde C7H6O 1 HUMNYLRZRPPJDN-UHFFFAOYSA-N O=Cc1ccccc1 -0.35 C00261 cpd00225
cpd02843_c0 D-erythro-imidazol-glycerol-phosphate C6H10N2O6P 1 HFYBTHCYPKEDQQ-RITPCOANSA-L O=P([O-])([O-])OCC(O)C(O)c1cnc[nH]1 -288.2 C04666 cpd02843
cpd00931_c0 5-Amino-6--5-phosphoribosylaminouracil C9H14N4O9P 1 LZEXYCAGPMYXLX-UMMCILCDSA-L Nc1c([O-])nc([O-])nc1NC1OC(COP(=O)(O)O)C(O)C1O -394.67 C01268 cpd00931
cpd00202_c0 DMAPP C5H10O7P2 1 CBIDRCWHNCKSTO-UHFFFAOYSA-L CC(C)=CCOP(=O)(O)OP(=O)([O-])[O-] -439.18 C00235 cpd00202
cpd11746_e0 Cellulose C6H10O52 1 C00760 cpd11746
cpd00159_c0 L-Lactate C3H5O3 1 JVTAAEKCZFNVCJ-REOHCLBHSA-M CC(O)C(=O)[O-] -123.17 C00186 cpd00159
cpd00331_m0 cis-Aconitate C6H3O6 1 GTZCVFVGUGFEME-IWQZZHSRSA-K O=C([O-])C=C(CC(=O)[O-])C(=O)[O-] -222.28 C00417 cpd00331
cpd00159_e0 L-Lactate C3H5O3 1 JVTAAEKCZFNVCJ-REOHCLBHSA-M CC(O)C(=O)[O-] -123.17 C00186 cpd00159
M-chit-e_e0 chitin * 1 cpd00000
cpd00341_c0 N-Carbamoylputrescine C5H14N3O 1 YANFYYGANIYHGI-UHFFFAOYSA-O N=C(O)NCCCC[NH3+] -44.23 C00436 cpd00341
cpd02851_c0 AICAR C9H14N4O8P 1 NOTGFIUVDGNKRI-UUOKFMHZSA-L N=C([O-])c1ncn(C2OC(COP(=O)([O-])O)C(O)C2O)c1N -336.61 C04677 cpd02851
cpd00382_e0 Melitose C18H32O16 1 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O -536.13 C00492 cpd00382
cpd00151_c0 Thymine C5H6N2O2 1 RWQNBRDOKXIBIV-UHFFFAOYSA-N Cc1cnc(O)nc1O -61.48 C00178 cpd00151
cpd05274_e0 Palmitoleic acid C16H29O2 1 SECPZKHBENQXJG-FPLPWBNLSA-M CCCCCCC=CCCCCCCCC(=O)[O-] -41.71 C08362 cpd05274
M-ppiacp-c_c0 propionyl-[acp] * 1 cpd00000
cpd11683_c0 Chitin C8H13NO52 1 C00461 cpd11683
M-geod-c_c0 geodin * 1 cpd00000
cpd01242_e0 Thyminose C5H10O4 1 ASJSAQIRZKANQN-UHFFFAOYSA-N O=CCC(O)C(O)CO -141.5 C01801 cpd01242
cpd00774_c0 UroporphyrinogenIII C40H36N4O16 1 HUHWZXWWOFSFKF-UHFFFAOYSA-F O=C([O-])CCc1c2[nH]c(c1CC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1CC(=O)[O-])C2 C01051 cpd00774
cpd01242_c0 Thyminose C5H10O4 1 ASJSAQIRZKANQN-UHFFFAOYSA-N O=CCC(O)C(O)CO -141.5 C01801 cpd01242
cpd00910_e0 Galactinol C12H22O11 1 VCWMRQDBPZKXKG-XIDCDEPRSA-N OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O -378.44 C01235 cpd00910
cpd11735_c0 Amylose C6H10O52 1 C00718 cpd11735
cpd00152_c0 Agmatine C5H16N4 1 QYPPJABKJHAVHS-UHFFFAOYSA-P NC(=[NH2+])NCCCC[NH3+] 5.87 C00179 cpd00152
cpd02597_m0 cis-2-Methylaconitate C7H5O6 1 NUZLRKBHOBPTQV-ARJAWSKDSA-K CC(C(=O)[O-])=C(CC(=O)[O-])C(=O)[O-] -223.03 C04225 cpd02597
cpd02068_m0 3-Methylglutaconyl-CoA C27H38N7O19P3S 1 GXKSHRDAHFLWPN-RKYLSHMCSA-I CC(=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])CC(=O)[O-] -840.36 C03231 cpd02068
cpd00774_m0 UroporphyrinogenIII C40H36N4O16 1 HUHWZXWWOFSFKF-UHFFFAOYSA-F O=C([O-])CCc1c2[nH]c(c1CC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1CC(=O)[O-])C2 C01051 cpd00774
cpd00393_c0 Folate C19H17N7O6 1 OVBPIULPVIDEAO-LBPRGKRZSA-L N=c1nc([O-])c2nc(CNc3ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc3)cnc2[nH]1 -107.8 C00504 cpd00393
cpd00470_c0 N1-Acetylspermidine C9H23N3O 1 MQTAVJHICJWXBR-UHFFFAOYSA-P CC(O)=NCCC[NH2+]CCCC[NH3+] -24.81 C00612 cpd00470
cpd02201_c0 4-phosphopantothenate C9H16NO8P 1 XHFVGHPGDLDEQO-ZETCQYMHSA-K CC(C)(COP(=O)([O-])O)C(O)C([O-])=NCCC(=O)[O-] -401.04 C03492 cpd02201
cpd00198_c0 D-Xylulose5-phosphate C5H10O8P 1 FNZLKVNUWIIPSJ-RFZPGFLSSA-L O=C(CO)C(O)C(O)COP(=O)([O-])[O-] -393.5 C00231 cpd00198
cpd02197_c0 5-Formyltetrahydrofolate C20H21N7O7 1 VVIAGPKUTFNRDU-STQMWFEESA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2C=O -142.75 C03479 cpd02197
cpd02314_c0 6-Demethylsterigmatocystin C17H10O6 1 RQQOEIJLJPCYJR-BWKAKNAASA-N O=c1c2c(O)cccc2oc2c3c(cc(O)c12)OC1OC=CC31 -129.64 C03683 cpd02314
cpd02484_c0 Inositol 3-phosphate C6H12O9P 1 INAPMGSXUVUWAF-PTQMNWPWSA-L O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O -432.46 C04006 cpd02484
M-adg6p-c_c0 alpha-D-glucose 6-phosphate * 1 cpd00000
cpd00289_c0 Geranylgeranyl diphosphate C20H34O7P2 1 OINNEUNVOZHBOX-QIRCYJPOSA-L CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)([O-])[O-] -354.91 C00353 cpd00289
M-dfru-e_e0 D-fructose * 1 cpd00000
M-dmipc-c_c0 Di-mannosyl-inositol-P-ceramide * 1 cpd00000
M-dfru-c_c0 D-fructose * 1 cpd00000
M-c162car-m_m0 hexadecadienoyl-carnitine * 1 cpd00000
cpd05274_c0 Palmitoleic acid C16H29O2 1 SECPZKHBENQXJG-FPLPWBNLSA-M CCCCCCC=CCCCCCCCC(=O)[O-] -41.71 C08362 cpd05274
cpd11492_c0 Malonyl-acyl-carrierprotein- C3H2O3RS 1 C01209 cpd11492
cpd00919_m0 Homocitrate C7H7O7 1 XKJVEVRQMLKSMO-SSDOTTSWSA-K O=C([O-])CCC(O)(CC(=O)[O-])C(=O)[O-] -278.82 C01251 cpd00919
M-c183coa-c_c0 octadecatrienoyl-CoA * 1 cpd00000
cpd03445_m0 2-Octaprenyl-6-hydroxyphenol C46H70O2 1 YNPGYMZVNLIZLD-BQFKTQOQSA-N CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cccc(O)c1O 172.09 C05811 cpd03445
cpd00066_c0 L-Phenylalanine C9H11NO2 1 COLNVLDHVKWLRT-QMMMGPOBSA-N NC(Cc1ccccc1)C(=O)O -51.05 C00079 cpd00066
cpd11839_c0 N-Acetyl-D-glucosaminylphosphatidylinositol C19H29NO18PR2 1 C01288 cpd11839
M-c183coa-m_m0 octadecatrienoyl-CoA * 1 cpd00000
cpd00159_m0 L-Lactate C3H5O3 1 JVTAAEKCZFNVCJ-REOHCLBHSA-M CC(O)C(=O)[O-] -123.17 C00186 cpd00159
cpd00066_e0 L-Phenylalanine C9H11NO2 1 COLNVLDHVKWLRT-QMMMGPOBSA-N NC(Cc1ccccc1)C(=O)O -51.05 C00079 cpd00066
cpd08302_c0 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol C29H46O 1 LFQXEZVYNCBVDO-HSXDXYGFSA-N CC(C)=CCCC(C)C1CC=C2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 57.44 C11455 cpd08302
cpd02574_c0 methylthioribose-1-phosphate C6H12O7PS 1 JTFITTQBRJDSTL-JDJSBBGDSA-L CSCC1OC(OP(=O)([O-])[O-])C(O)C1O -347.5 C04188 cpd02574
cpd00764_c0 7-8-Diaminononanoate C9H21N2O2 1 KCEGBPIYGIWCDH-UHFFFAOYSA-O CC([NH3+])C(N)CCCCCC(=O)O -80.99 C01037 cpd00764
cpd00292_c0 HMG-CoA C27H40N7O20P3S 1 CABVTRNMFUVUDM-VRHQGPGLSA-I CC(O)(CC(=O)[O-])CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -900.07 C00356 cpd00292
cpd00066_m0 L-Phenylalanine C9H11NO2 1 COLNVLDHVKWLRT-QMMMGPOBSA-N NC(Cc1ccccc1)C(=O)O -51.05 C00079 cpd00066
cpd00482_c0 2-Phospho-D-glycerate C3H5O7P 1 GXIURPTVHJPJLF-UWTATZPHSA-K O=C([O-])C(CO)OP(=O)([O-])[O-] -371.9 C00631 cpd00482
cpd00331_c0 cis-Aconitate C6H3O6 1 GTZCVFVGUGFEME-IWQZZHSRSA-K O=C([O-])C=C(CC(=O)[O-])C(=O)[O-] -222.28 C00417 cpd00331
cpd00208_c0 LACT C12H22O11 1 GUBGYTABKSRVRQ-QKKXKWKRSA-N OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O -376.76 C00243 cpd00208
cpd00305_c0 Thiamin C12H17N4OS 1 JZRWCGZRTZMZEH-UHFFFAOYSA-N Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1 52.18 C00378 cpd00305
cpd00208_e0 LACT C12H22O11 1 GUBGYTABKSRVRQ-QKKXKWKRSA-N OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O -376.76 C00243 cpd00208
cpd12848_c0 Holo-[carboxylase] C17H27N5O4R2S 1 C06250 cpd12848
cpd00292_m0 HMG-CoA C27H40N7O20P3S 1 CABVTRNMFUVUDM-VRHQGPGLSA-I CC(O)(CC(=O)[O-])CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -900.07 C00356 cpd00292
cpd00156_m0 L-Valine C5H11NO2 1 KZSNJWFQEVHDMF-BYPYZUCNSA-N CC(C)C(N)C(=O)O -86.49 C00183 cpd00156
M-c162car-c_c0 hexadecadienoyl-carnitine * 1 cpd00000
cpd00655_c0 Dephospho-CoA C21H33N7O13P2S 1 KDTSHFARGAKYJN-IBOSZNHHSA-L CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(O)C([O-])=NCCC([O-])=NCCS -539.494 C00882 cpd00655
cpd02197_m0 5-Formyltetrahydrofolate C20H21N7O7 1 VVIAGPKUTFNRDU-STQMWFEESA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2C=O -142.75 C03479 cpd02197
cpd00673_c0 Dihydrothymine C5H8N2O2 1 NBAKTGXDIBVZOO-UHFFFAOYSA-N CC1CN=C(O)N=C1O -72.07 C00906 cpd00673
cpd00156_c0 L-Valine C5H11NO2 1 KZSNJWFQEVHDMF-BYPYZUCNSA-N CC(C)C(N)C(=O)O -86.49 C00183 cpd00156
cpd00156_e0 L-Valine C5H11NO2 1 KZSNJWFQEVHDMF-BYPYZUCNSA-N CC(C)C(N)C(=O)O -86.49 C00183 cpd00156
cpd00150_c0 HCN CHN 1 LELOWRISYMNNSU-UHFFFAOYSA-N C#N C00177 cpd00150
cpd00424_c0 Cystathionine C7H14N2O4S 1 ILRYLPWNYFXEMH-RFZPGFLSSA-N NC(CCSCC(N)C(=O)O)C(=O)O -154.91 C00542 cpd00424
cpd00085_m0 beta-Alanine C3H7NO2 1 UCMIRNVEIXFBKS-UHFFFAOYSA-N NCCC(=O)O -86.11 C00099 cpd00085
cpd12830_c0 Sulfatide C10H16NO11R2S 1 C06125 cpd12830
cpd00042_c0 GSH C10H16N3O6S 1 RWSXRVCMGQZWBV-WDSKDSINSA-M NC(CCC([O-])=NC(CS)C(O)=NCC(=O)O)C(=O)O -220.954 C00051 cpd00042
cpd00016_c0 Pyridoxal phosphate C8H9NO6P 1 NGVDGCNFYWLIFO-UHFFFAOYSA-L Cc1ncc(COP(=O)([O-])O)c(C=O)c1[O-] -272 C00018 cpd00016
cpd00683_c0 Dihydropteroate C14H13N6O3 1 WBFYVDCHGVNRBH-UHFFFAOYSA-M N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)O)cc1)=N2 12.16 C00921 cpd00683
cpd12582_c0 Phosphatidylinositol-4,5-bisphosphate C11H16O19P3R2 1 C04637 cpd12582
cpd00982_e0 FADH2 C27H33N9O15P2 1 YPZRHBJKEMOYQH-UYBVJOGSSA-L Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1nc([O-])nc([O-])c1N2 -538.18 C01352 cpd00982
cpd00085_c0 beta-Alanine C3H7NO2 1 UCMIRNVEIXFBKS-UHFFFAOYSA-N NCCC(=O)O -86.11 C00099 cpd00085
cpd00982_c0 FADH2 C27H33N9O15P2 1 YPZRHBJKEMOYQH-UYBVJOGSSA-L Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1nc([O-])nc([O-])c1N2 -538.18 C01352 cpd00982
cpd00078_m0 Succinyl-CoA C25H36N7O19P3S 1 VNOYUJKHFWYWIR-ITIYDSSPSA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CCC(=O)[O-] -862.04 C00091 cpd00078
cpd00932_c0 5-O--1-Carboxyvinyl-3-phosphoshikimate C10H10O10P 1 QUTYKIXIUDQOLK-PRJMDXOYSA-J C=C(OC1CC(C(=O)[O-])=CC(OP(=O)([O-])[O-])C1O)C(=O)[O-] -427.57 C01269 cpd00932
cpd00982_m0 FADH2 C27H33N9O15P2 1 YPZRHBJKEMOYQH-UYBVJOGSSA-L Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1nc([O-])nc([O-])c1N2 -538.18 C01352 cpd00982
cpd01066_c0 L-Iditol C6H14O6 1 FBPFZTCFMRRESA-UNTFVMJOSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C01507 cpd01066
cpd01399_c0 Maltotetraose C24H42O21 1 LUEWUZLMQUOBSB-ZLBHSGTGSA-N OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O -693.72 C02052 cpd01399
cpd00413_m0 Glutaryl-CoA C26H38N7O19P3S 1 SYKWLIJQEHRDNH-CKRMAKSASA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CCCC(=O)[O-] -860.42 C00527 cpd00413
cpd00294_c0 dAMP C10H13N5O6P 1 KHWCHTKSEGGWEX-RRKCRQDMSA-L Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)([O-])[O-])O1 -218.01 C00360 cpd00294
cpd00177_c0 dADP C10H13N5O9P2 1 DAEAPNUQQAICNR-RRKCRQDMSA-L Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)([O-])[O-])O1 -426.01 C00206 cpd00177
cpd00035_c0 L-Alanine C3H7NO2 1 QNAYBMKLOCPYGJ-REOHCLBHSA-N CC(N)C(=O)O -87.92 C00041 cpd00035
cpd00135_m0 Homocysteine C4H9NO2S 1 FFFHZYDWPBMWHY-VKHMYHEASA-N NC(CCS)C(=O)O -81.774 C00155 cpd00135
cpd14882_c0 alpha-Linolenoyl-ACP C18H29ORS 1 C16161 cpd14882
cpd00035_e0 L-Alanine C3H7NO2 1 QNAYBMKLOCPYGJ-REOHCLBHSA-N CC(N)C(=O)O -87.92 C00041 cpd00035
cpd00043_c0 UDP-galactose C15H22N2O17P2 1 HSCJRCZFDFQWRP-LNYDKVEPSA-L O=c1nc([O-])ccn1C1OC(COP(=O)([O-])OP(=O)(O)OC2OC(CO)C(O)C(O)C2O)C(O)C1O -762.55 C00052 cpd00043
cpd01357_c0 (R)-Mandelate C8H7O3 1 IWYDHOAUDWTVEP-SSDOTTSWSA-M O=C([O-])C(O)c1ccccc1 -87.92 C01983 cpd01357
M-cerb1c-c_c0 cerebrin 1 (comp. C) * 1 cpd00000
cpd03122_m0 (S)-Hydroxyhexanoyl-CoA C27H43N7O18P3S 1 VAAHKRMGOFIORX-DWUFXMDISA-J CCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -817.39 C05268 cpd03122
cpd11494_c0 Acetyl-ACP C2H3ORS 1 C03939 cpd11494
M-cerb1a-c_c0 cerebrin 1 (comp. A) * 1 cpd00000
cpd14938_c0 3-Oxostearoyl-[acp] C18H33O2RS 1 C16219 cpd14938
cpd16551_c0 Aflatoxin G2 C17H14O7 1 WPCVRWVBBXIRMA-WNWIJWBNSA-N COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1CCOC1O2 -159.69 C16754 cpd16551
cpd01063_c0 Guaiacol C7H8O2 1 LHGVFZTZFXWLCP-UHFFFAOYSA-N COc1ccccc1O -34.73 C01502 cpd01063
cpd01063_e0 Guaiacol C7H8O2 1 LHGVFZTZFXWLCP-UHFFFAOYSA-N COc1ccccc1O -34.73 C01502 cpd01063
cpd00180_c0 Oxalate C2O4 1 MUBZPKHOEPUJKR-UHFFFAOYSA-L O=C([O-])C(=O)[O-] -161 C00209 cpd00180
cpd02030_c0 3-phosphoshikimate C7H9O8P 1 QYOJSKGCWNAKGW-PBXRRBTRSA-K O=C([O-])C1=CC(OP(=O)([O-])[O-])C(O)C(O)C1 -383.79 C03175 cpd02030
cpd00135_c0 Homocysteine C4H9NO2S 1 FFFHZYDWPBMWHY-VKHMYHEASA-N NC(CCS)C(=O)O -81.774 C00155 cpd00135
cpd03285_c0 3-Sulfopyruvate C3H2O6S 1 BUTHMSUEBYPMKJ-UHFFFAOYSA-L O=C([O-])C(=O)CS(=O)(=O)[O-] -231.172 C05528 cpd03285
cpd00180_e0 Oxalate C2O4 1 MUBZPKHOEPUJKR-UHFFFAOYSA-L O=C([O-])C(=O)[O-] -161 C00209 cpd00180
cpd00035_m0 L-Alanine C3H7NO2 1 QNAYBMKLOCPYGJ-REOHCLBHSA-N CC(N)C(=O)O -87.92 C00041 cpd00035
cpd01066_e0 L-Iditol C6H14O6 1 FBPFZTCFMRRESA-UNTFVMJOSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C01507 cpd01066
cpd02642_c0 N-5-phosphoribosyl-anthranilate C12H14NO9P 1 PMFMJXPRNJUYMB-GWOFURMSSA-K O=C([O-])c1ccccc1NC1OC(COP(=O)([O-])[O-])C(O)C1O -393.15 C04302 cpd02642
cpd00742_c0 Allophanate C2H3N2O3 1 AVWRKZWQTYIKIY-UHFFFAOYSA-M N=C([O-])NC(=O)O -127.56 C01010 cpd00742
cpd14614_m0 2,3-Dimethyl-5-phytylquinol C28H48O2 1 SUFZKUBNOVDJRR-WGEODTKDSA-N CC(=CCc1cc(O)c(C)c(C)c1O)CCCC(C)CCCC(C)CCCC(C)C -8.93 C15883 cpd14614
M-c4hcoa-m_m0 3-hydroxybutyryl-CoA * 1 cpd00000
cpd14515_c0 5,7,24(28)-Ergostatrienol C28H44O 1 ZEPNVCGPJXYABB-LSYBVYQNSA-N C=C(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C)C(C)C 51.08 C15778 cpd14515
M-c161car-m_m0 hexadecenoyl-carnitine * 1 cpd00000
cpd00609_c0 D-Glucarate C6H8O8 1 DSLZVSRJTYRBFB-LLEIAEIESA-L O=C([O-])C(O)C(O)C(O)C(O)C(=O)[O-] -311.88 C00818 cpd00609
cpd01777_c0 Phosphoribosyl-AMP C15H21N5O14P2 1 RTQMRTSPTLIIHM-KEOHHSTQSA-J N=c1c2ncn(C3OC(COP(=O)([O-])[O-])C(O)C3O)c2ncn1C1OC(COP(=O)([O-])[O-])C(O)C1O -599.22 C02741 cpd01777
cpd00383_c0 Shikimate C7H9O5 1 JXOHGGNKMLTUBP-HSUXUTPPSA-M O=C([O-])C1=CC(O)C(O)C(O)C1 -171.29 C00493 cpd00383
cpd11912_c0 tRNA-Glu C10H12N5O3R 1 C01641 cpd11912
cpd00976_c0 dIDP C10H12N4O10P2 1 BKUSIKGSPSFQAC-RRKCRQDMSA-L O=P([O-])(O)OP(=O)(O)OCC1OC(n2cnc3c([O-])ncnc32)CC1O -481.74 C01344 cpd00976
cpd11624_c0 Lecithin C10H18NO8PR2 1 C00157 cpd11624
cpd11624_e0 Lecithin C10H18NO8PR2 1 C00157 cpd11624
cpd00712_m0 2-Dehydropantoate C6H9O4 1 PKVVTUWHANFMQC-UHFFFAOYSA-M CC(C)(CO)C(=O)C(=O)[O-] -149.1 C00966 cpd00712
cpd00103_c0 PRPP C5H10O14P3 1 PQGCEDQWHSBAJP-TXICZTDVSA-J O=P([O-])([O-])OCC1OC(OP(=O)(O)OP(=O)([O-])[O-])C(O)C1O -814.62 C00119 cpd00103
cpd00920_c0 4-(2-Aminophenyl)-2,4-dioxobutanoate C10H8NO4 1 CAOVWYZQMPNAFJ-UHFFFAOYSA-M Nc1ccccc1C(=O)CC(=O)C(=O)[O-] -101.71 C01252 cpd00920
cpd00930_c0 imidazole acetol-phosphate C6H8N2O5P 1 YCFFMSOLUMRAMD-UHFFFAOYSA-L O=C(COP(=O)([O-])[O-])Cc1cnc[nH]1 -242.14 C01267 cpd00930
cpd01646_m0 2-Isopropylmalate C7H10O5 1 BITYXLXUCSKTJS-UHFFFAOYSA-L CC(C)C(O)(CC(=O)[O-])C(=O)[O-] -201.18 C02504 cpd01646
cpd14544_c0 4alpha-Methylzymosterol-4-carboxylate C29H45O3 1 MYWAIWDQTCHPTH-XQTRBMGCSA-M CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C(=O)[O-])C1CC3 -36.57 C15808 cpd14544
cpd03572_m0 (S)-3-Hydroxyisobutyryl-CoA C25H39N7O18P3S 1 WWEOGFZEFHPUAM-UQCJFRAESA-J CC(CO)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -820.63 C06000 cpd03572
cpd03704_c0 dIMP C10H12N4O7P 1 PHNGFPPXDJJADG-RRKCRQDMSA-L O=P([O-])(O)OCC1OC(n2cnc3c([O-])ncnc32)CC1O -273.74 C06196 cpd03704
cpd11652_c0 Phosphatidylglycerol C8H12O10PR2 1 C00344 cpd11652
cpd00943_c0 Inositol 1,3,4,5,6-pentakisphosphate C6H12O21P5 1 CTPQAXVNYGZUAJ-KXXVROSKSA-D O=P([O-])([O-])OC1C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-] -1282.46 C01284 cpd00943
cpd11652_m0 Phosphatidylglycerol C8H12O10PR2 1 C00344 cpd11652
cpd02701_c0 S-Adenosyl-4-methylthio-2-oxobutanoate C15H19N5O6S 1 UOKVQQMBGVMXPU-CJPDYEHRSA-N C[S+](CCC(=O)C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O -91.4 C04425 cpd02701
cpd01419_c0 Ureidoglycine C3H7N3O3 1 VTFWFHCECSOPSX-SFOWXEAESA-N N=C(O)NC(N)C(=O)O -128.73 C02091 cpd01419
cpd03455_c0 3-Mercaptolactate C3H5O3S 1 OLQOVQTWRIJPRE-REOHCLBHSA-M O=C([O-])C(O)CS -118.644 C05823 cpd03455
cpd02701_m0 S-Adenosyl-4-methylthio-2-oxobutanoate C15H19N5O6S 1 UOKVQQMBGVMXPU-CJPDYEHRSA-N C[S+](CCC(=O)C(=O)[O-])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O -91.4 C04425 cpd02701
M-i5p-e_c0 generated i5p_e * 1 cpd00000
cpd01628_e0 Vitamin E C29H50O2 1 GVJHHUAWPYXKBD-IEOSBIPESA-N Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2 -22.61 C02477 cpd01628
cpd01628_c0 Vitamin E C29H50O2 1 GVJHHUAWPYXKBD-IEOSBIPESA-N Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2 -22.61 C02477 cpd01628
M-gdmipc-c_c0 Galactosyl-Dimannosyl-inositol-P-ceramide * 1 cpd00000
cpd00869_m0 4-methylthio 2-oxobutyrate C5H7O3S 1 SXFSQZDSUWACKX-UHFFFAOYSA-M CSCCC(=O)C(=O)[O-] -100.68 C01180 cpd00869
cpd01775_c0 Phosphoribosyl-ATP C15H21N5O20P4 1 RKNHJBVBFHDXGR-KEOHHSTQSA-I N=c1c2ncn(C3OC(COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])C(O)C3O)c2ncn1C1OC(COP(=O)([O-])[O-])C(O)C1O -1015.22 C02739 cpd01775
cpd02083_m0 CoproporphyrinogenIII C36H40N4O8 1 NIUVHXTXUXOFEB-UHFFFAOYSA-J Cc1c2[nH]c(c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(C)c1CCC(=O)[O-])C2 C03263 cpd02083
cpd00137_m0 Citrate C6H5O7 1 KRKNYBCHXYNGOX-UHFFFAOYSA-K O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] -280.44 C00158 cpd00137
cpd03372_m0 Homoisocitrate C7H7O7 1 OEJZZCGRGVFWHK-WVZVXSGGSA-K O=C([O-])CCC(C(=O)[O-])C(O)C(=O)[O-] -277.4 C05662 cpd03372
cpd00160_c0 Cholesterol C27H46O 1 HVYWMOMLDIMFJA-DPAQBDIFSA-N CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C 15.57 C00187 cpd00160
cpd02439_c0 2-Dehydro-3-deoxy-D-glucarate C6H6O7 1 QUURPCHWPQNNGL-OKKQSCSOSA-L O=C([O-])C(=O)CC(O)C(O)C(=O)[O-] -263.36 C03921 cpd02439
cpd03123_m0 3-Oxohexanoyl-CoA C27H41N7O18P3S 1 NFOYYXQAVVYWKV-UHFFFAOYSA-J CCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -809.37 C05269 cpd03123
cpd00137_e0 Citrate C6H5O7 1 KRKNYBCHXYNGOX-UHFFFAOYSA-K O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] -280.44 C00158 cpd00137
cpd11255_c0 1,2-dihydroxy-3-keto-5-methylthiopentene C6H10O3S 1 CILXJJLQPTUUSS-XQRVVYSFSA-N CSCCC(=O)C(O)=CO -76.09 C15606 cpd11255
cpd02083_c0 CoproporphyrinogenIII C36H40N4O8 1 NIUVHXTXUXOFEB-UHFFFAOYSA-J Cc1c2[nH]c(c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(C)c1CCC(=O)[O-])C2 C03263 cpd02083
cpd00137_c0 Citrate C6H5O7 1 KRKNYBCHXYNGOX-UHFFFAOYSA-K O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] -280.44 C00158 cpd00137
cpd00824_c0 Sphinganine 1-phosphate C18H40NO5P 1 YHEDRJPUIRMZMP-ZWKOTPCHSA-M CCCCCCCCCCCCCCCC(O)C(N)COP(=O)([O-])O -270.94 C01120 cpd00824
cpd02961_c0 Dihydroneopterin C9H13N5O4 1 YQIFAMYNGGOTFB-XINAWCOVSA-N N=c1nc(O)c2c([nH]1)NCC(C(O)C(O)CO)=N2 -75.95 C04874 cpd02961
cpd00869_c0 4-methylthio 2-oxobutyrate C5H7O3S 1 SXFSQZDSUWACKX-UHFFFAOYSA-M CSCCC(=O)C(=O)[O-] -100.68 C01180 cpd00869
cpd03037_c0 7-Dehydrodesmosterol C27H42O 1 RUSSPKPUXDSHNC-HBSMUTCNSA-N CC(C)=CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C 51.93 C05107 cpd03037
cpd11477_c0 (2E)-Hexadecenoyl-[acp] C16H29ORS 1 C05763 cpd11477
cpd00284_e0 6-Phospho-D-gluconate C6H11O10P 1 BIRSGZKFKXLSJQ-SQOUGZDYSA-K O=C([O-])C(O)C(O)C(O)C(O)COP(=O)([O-])[O-] -481.16 C00345 cpd00284
cpd00284_c0 6-Phospho-D-gluconate C6H11O10P 1 BIRSGZKFKXLSJQ-SQOUGZDYSA-K O=C([O-])C(O)C(O)C(O)C(O)COP(=O)([O-])[O-] -481.16 C00345 cpd00284
cpd02720_c0 5-Amino-6--5-phosphoribitylaminouracil C9H16N4O9P 1 RQRINYISXYAZKL-RPDRRWSUSA-L Nc1c([O-])nc([O-])nc1NCC(O)C(O)C(O)COP(=O)(O)O -402.07 C04454 cpd02720
cpd00863_c0 beta-D-Glucose 6-phosphate C6H12O9P 1 NBSCHQHZLSJFNQ-VFUOTHLCSA-L O=P([O-])([O-])OCC1OC(O)C(O)C(O)C1O -430.78 C01172 cpd00863
cpd02187_m0 Methacrylyl-CoA C25H37N7O17P3S 1 NPALUEYCDZWBOV-NDZSKPAWSA-J C=C(C)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -764.81 C03460 cpd02187
cpd03128_c0 Decanoyl-CoA C31H51N7O17P3S 1 CNKJPHSEFDPYDB-HSJNEKGZSA-J CCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -772.87 C05274 cpd03128
cpd00013_m0 NH3 H4N 1 QGZKDVFQNNGYKY-UHFFFAOYSA-O [NH4+] -18.97 C00014 cpd00013
cpd00712_c0 2-Dehydropantoate C6H9O4 1 PKVVTUWHANFMQC-UHFFFAOYSA-M CC(C)(CO)C(=O)C(=O)[O-] -149.1 C00966 cpd00712
cpd00013_c0 NH3 H4N 1 QGZKDVFQNNGYKY-UHFFFAOYSA-O [NH4+] -18.97 C00014 cpd00013
cpd00102_c0 Glyceraldehyde3-phosphate C3H6O6P 1 LXJXRIRHZLFYRP-VKHMYHEASA-L O=CC(O)COP(=O)([O-])[O-] -319.2 C00118 cpd00102
cpd01647_m0 2-Phenylacetamide C8H9NO 1 LSBDFXRDZJMBSC-UHFFFAOYSA-N N=C(O)Cc1ccccc1 -7.44 C02505 cpd01647
cpd03426_c0 Sirohydrochlorin C42H38N4O16 1 KWIZRXMMFRBUML-AHGFGAHVSA-F CC1(CC(=O)[O-])c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)C1CCC(=O)[O-])C(C)(CC(=O)[O-])C5CCC(=O)[O-])c(CC(=O)[O-])c4CCC(=O)[O-])c(CCC(=O)[O-])c3CC(=O)[O-] C05778 cpd03426
cpd00438_m0 Deoxyadenosine C10H13N5O3 1 OLXZPDWKRNYJJZ-RRKCRQDMSA-N Nc1ncnc2c1ncn2C1CC(O)C(CO)O1 -5.51 C00559 cpd00438
cpd00013_e0 NH3 H4N 1 QGZKDVFQNNGYKY-UHFFFAOYSA-O [NH4+] -18.97 C00014 cpd00013
M-c161car-c_c0 hexadecenoyl-carnitine * 1 cpd00000
cpd00438_c0 Deoxyadenosine C10H13N5O3 1 OLXZPDWKRNYJJZ-RRKCRQDMSA-N Nc1ncnc2c1ncn2C1CC(O)C(CO)O1 -5.51 C00559 cpd00438
cpd00911_e0 6-phospho-D-glucono-1-5-lactone C6H10O9P 1 IJOJIVNDFQSGAB-SQOUGZDYSA-L O=C1OC(COP(=O)([O-])[O-])C(O)C(O)C1O -428.52 C01236 cpd00911
cpd00038_m0 GTP C10H13N5O14P3 1 XKMLYUALXHKNFT-UUOKFMHZSA-K N=c1nc([O-])c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])C(O)C3O)c2[nH]1 -724.3 C00044 cpd00038
cpd00911_c0 6-phospho-D-glucono-1-5-lactone C6H10O9P 1 IJOJIVNDFQSGAB-SQOUGZDYSA-L O=C1OC(COP(=O)([O-])[O-])C(O)C(O)C1O -428.52 C01236 cpd00911
cpd00885_e0 Phytate C6H12O24P6 1 IMQLKJBTEOYOSI-GPIVLXJGSA-B O=P([O-])([O-])OC1C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-] -1494.96 C01204 cpd00885
cpd00038_c0 GTP C10H13N5O14P3 1 XKMLYUALXHKNFT-UUOKFMHZSA-K N=c1nc([O-])c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])C(O)C3O)c2[nH]1 -724.3 C00044 cpd00038
cpd03119_m0 3-Oxodecanoyl-CoA C31H49N7O18P3S 1 AZCVXMAPLHSIKY-UHFFFAOYSA-J CCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -802.89 C05265 cpd03119
cpd00182_c0 Adenosine C10H13N5O4 1 OIRDTQYFTABQOQ-KQYNXXCUSA-N Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O -45.35 C00212 cpd00182
cpd00327_m0 strcoa C39H67N7O17P3S 1 SIARJEKBADXQJG-LFZQUHGESA-J CCCCCCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -759.91 C00412 cpd00327
cpd00023_e0 L-Glutamate C5H8NO4 1 WHUUTDBJXJRKMK-VKHMYHEASA-M NC(CCC(=O)[O-])C(=O)O -164.13 C00025 cpd00023
cpd09879_c0 S-(Hydroxymethyl)glutathione C11H18N3O7S 1 PIUSLWSYOYFRFR-BQBZGAKWSA-M NC(CCC([O-])=NC(CSCO)C(O)=NCC(=O)O)C(=O)O -251.32 C14180 cpd09879
cpd03128_m0 Decanoyl-CoA C31H51N7O17P3S 1 CNKJPHSEFDPYDB-HSJNEKGZSA-J CCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -772.87 C05274 cpd03128
cpd00346_c0 L-Aspartate4-semialdehyde C4H7NO3 1 HOSWPDPVFBCLSY-VKHMYHEASA-N NC(CC=O)C(=O)O -113.05 C00441 cpd00346
cpd00023_c0 L-Glutamate C5H8NO4 1 WHUUTDBJXJRKMK-VKHMYHEASA-M NC(CCC(=O)[O-])C(=O)O -164.13 C00025 cpd00023
cpd00023_m0 L-Glutamate C5H8NO4 1 WHUUTDBJXJRKMK-VKHMYHEASA-M NC(CCC(=O)[O-])C(=O)O -164.13 C00025 cpd00023
cpd01398_c0 Linoleoyl-CoA C39H63N7O17P3S 1 YECLLIMZHNYFCK-RRNJGNTNSA-J CCCCCC=CCC=CCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -715.19 C02050 cpd01398
M-mipc-c_c0 mannose-inositol-P-ceramide * 1 cpd00000
cpd00327_c0 strcoa C39H67N7O17P3S 1 SIARJEKBADXQJG-LFZQUHGESA-J CCCCCCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -759.91 C00412 cpd00327
cpd00283_c0 Geranyldiphosphate C10H18O7P2 1 GVVPGTZRZFNKDS-JXMROGBWSA-L CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)([O-])[O-] -411.09 C00341 cpd00283
cpd12052_m0 Apocytochrome c C8H12N4O4R4S2 1 C02248 cpd12052
cpd00033_c0 Glycine C2H5NO2 1 DHMQDGOQFOQNFH-UHFFFAOYSA-N NCC(=O)O -87.73 C00037 cpd00033
cpd11470_c0 Octanoyl-ACP C8H15ORS 1 C05752 cpd11470
M-c4hacp-c_c0 3-hydroxybutyryl-[acp] * 1 cpd00000
cpd00486_c0 Indoleacetaldehyde C10H9NO 1 WHOOUMGHGSPMGR-UHFFFAOYSA-N O=CCc1c[nH]c2ccccc12 28.87 C00637 cpd00486
cpd03120_m0 (S)-Hydroxyoctanoyl-CoA C29H47N7O18P3S 1 ATVGTMKWKDUCMS-OTOYJEMWSA-J CCCCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -814.15 C05266 cpd03120
cpd11490_c0 3-oxooctanoyl-acp C8H13O2RS 1 C05750 cpd11490
cpd00033_e0 Glycine C2H5NO2 1 DHMQDGOQFOQNFH-UHFFFAOYSA-N NCC(=O)O -87.73 C00037 cpd00033
cpd00033_m0 Glycine C2H5NO2 1 DHMQDGOQFOQNFH-UHFFFAOYSA-N NCC(=O)O -87.73 C00037 cpd00033
cpd00261_e0 L-Lyxulose C5H10O5 1 ZAQJHHRNXZUBTE-WVZVXSGGSA-N O=C(CO)C(O)C(O)CO -181 C00312 cpd00261
cpd00517_c0 1-Acyl-sn-glycerol 3-phosphate C4H7O7PR 1 WRGQSWVCFNIUNZ-GDCKJWNLSA-N CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O C00681 cpd00517
cpd00261_c0 L-Lyxulose C5H10O5 1 ZAQJHHRNXZUBTE-WVZVXSGGSA-N O=C(CO)C(O)C(O)CO -181 C00312 cpd00261
cpd00009_m0 Phosphate HO4P 1 NBIIXXVUZAFLBC-UHFFFAOYSA-L O=P([O-])([O-])O -261.974 C00009 cpd00009
cpd00485_c0 D-Mannose1-phosphate C6H12O9P 1 HXXFSFRBOHSIMQ-RWOPYEJCSA-L O=P([O-])([O-])OC1OC(CO)C(O)C(O)C1O -430.78 C00636 cpd00485
cpd00793_c0 Thiamine phosphate C12H17N4O4PS 1 HZSAJDVWZRBGIF-UHFFFAOYSA-M Cc1ncc(C[n+]2csc(CCOP(=O)([O-])[O-])c2C)c(=N)[nH]1 -160.32 C01081 cpd00793
cpd00009_e0 Phosphate HO4P 1 NBIIXXVUZAFLBC-UHFFFAOYSA-L O=P([O-])([O-])O -261.974 C00009 cpd00009
M-acylacpp-c_c0 acylacpp[c] * 1 cpd00000
cpd00311_c0 Guanosine C10H13N5O5 1 NYHBQMYGNKIUIF-UUOKFMHZSA-N N=c1nc(O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1 -95.8 C00387 cpd00311
cpd11473_c0 (2E)-Hexenoyl-[acp] C6H9ORS 1 C05748 cpd11473
cpd01966_m0 Dimethylacryloyl-CoA C26H39N7O17P3S 1 BXIPALATIYNHJN-ZMHDXICWSA-J CC(C)=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -762.53 C03069 cpd01966
cpd03221_c0 Zymosterol C27H44O 1 CGSJXLIKVBJVRY-LVKDPOMLSA-N CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1CC3 46.19 C05437 cpd03221
cpd00070_m0 Malonyl-CoA C24H34N7O19P3S 1 LTYOQGRJFJAKNA-DVVLENMVSA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CC(=O)[O-] -863.66 C00083 cpd00070
cpd12227_c0 L-Glutamyl-tRNA-Glu C25H34N6O19P2R2 1 C02987 cpd12227
cpd00111_c0 Oxidized glutathione C20H30N6O12S2 1 YPZRWBKMTBYPTK-BJDJZHNGSA-L NC(CCC([O-])=NC(CSSCC(N=C([O-])CCC(N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O -434.73 C00127 cpd00111
cpd00009_c0 Phosphate HO4P 1 NBIIXXVUZAFLBC-UHFFFAOYSA-L O=P([O-])([O-])O -261.974 C00009 cpd00009
cpd00276_c0 GLUM C6H14NO5 1 MSWZFWKMSRAUBD-IVMDWMLBSA-O [NH3+]C1C(O)OC(CO)C(O)C1O -183.03 C00329 cpd00276
cpd00070_c0 Malonyl-CoA C24H34N7O19P3S 1 LTYOQGRJFJAKNA-DVVLENMVSA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CC(=O)[O-] -863.66 C00083 cpd00070
cpd00015_m0 FAD C27H31N9O15P2 1 IMGVNJNCCGXBHD-UYBVJOGSSA-K Cc1cc2nc3c([O-])nc(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])OP(=O)([O-])OCC3OC([n+]4c[nH]c5c(N)ncnc54)C(O)C3O)c2cc1C -515.07 C00016 cpd00015
cpd01367_e0 Acetylcholine C7H16NO2 1 OIPILFWXSMYKGL-UHFFFAOYSA-N CC(=O)OCC[N+](C)(C)C -25.26 C01996 cpd01367
cpd00558_e0 Spermine C10H30N4 1 PFNFFQXMRSDOHW-UHFFFAOYSA-R [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] 15.6 C00750 cpd00558
cpd00558_c0 Spermine C10H30N4 1 PFNFFQXMRSDOHW-UHFFFAOYSA-R [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH3+] 15.6 C00750 cpd00558
cpd00224_e0 L-Arabinose C5H10O5 1 PYMYPHUHKUWMLA-VAYJURFESA-N O=CC(O)C(O)C(O)CO -179.54 C00259 cpd00224
cpd02125_m0 Tiglyl-CoA C26H39N7O17P3S 1 PMWATMXOQQZNBX-DKBZLLMOSA-J CC=C(C)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -762.53 C03345 cpd02125
cpd00224_c0 L-Arabinose C5H10O5 1 PYMYPHUHKUWMLA-VAYJURFESA-N O=CC(O)C(O)C(O)CO -179.54 C00259 cpd00224
cpd00020_m0 Pyruvate C3H3O3 1 LCTONWCANYUPML-UHFFFAOYSA-M CC(=O)C(=O)[O-] -112.69 C00022 cpd00020
cpd01695_c0 Myristoyl-CoA C35H59N7O17P3S 1 DUAFKXOFBZQTQE-QSGBVPJFSA-J CCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -766.39 C02593 cpd01695
cpd02666_c0 (R)-4'-Phosphopantothenoyl-L-cysteine C12H21N2O9PS 1 XQYALQVLCNHCFT-CBAPKCEASA-K CC(C)(COP(=O)(O)O)C(O)C([O-])=NCCC([O-])=NC(CS)C(=O)[O-] -427.284 C04352 cpd02666
cpd02772_e0 4-Carboxy-2,5-dihydro-2-oxofuran-5-acetate C7H4O6 1 YTGSUEIQIFKYDP-UHFFFAOYSA-L O=C([O-])Cc1oc(=O)[cH-]c1C(=O)[O-] -213.68 C04553 cpd02772
cpd03456_c0 S-sulfocysteine C3H6NO5S2 1 NOKPBJYHPHHWAN-REOHCLBHSA-M NC(CSS(=O)(=O)O)C(=O)[O-] C05824 cpd03456
M-cereb2-c_c0 cerebroside 2 * 1 cpd00000
cpd00350_c0 Farnesyldiphosphate C15H26O7P2 1 VWFJDQUYCIWHTN-YFVJMOTDSA-L CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)([O-])[O-] -383 C00448 cpd00350
M-cerb2b-c_c0 cerebrin 2 (comp. B) * 1 cpd00000
cpd03196_e0 Epimelibiose C12H22O11 1 DLRVVLDZNNYCBX-NNDSTVLFSA-N OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C05400 cpd03196
cpd01882_m0 Isovaleryl-CoA C26H41N7O17P3S 1 UYVZIWWBJMYRCD-ZMHDXICWSA-J CC(C)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -782.78 C02939 cpd01882
cpd00457_m0 Phosphocholine C5H14NO4P 1 YHHSONZFOIEMCP-UHFFFAOYSA-M C[N+](C)(C)CCOP(=O)([O-])[O-] -200.31 C00588 cpd00457
cpd12180_c0 beta-L-Arabinoside C5H9O5R 1 C02761 cpd12180
cpd12180_e0 beta-L-Arabinoside C5H9O5R 1 C02761 cpd12180
cpd00395_c0 L-Cysteate C3H6NO5S 1 XVOYSCVBGLVSOL-REOHCLBHSA-M NC(CS(=O)(=O)O)C(=O)[O-] -206.402 C00506 cpd00395
cpd00503_c0 D-Fructose 2,6-bisphosphate C6H12O12P2 1 YXWOAJXNVLXPMU-ZXXMMSQZSA-J O=P([O-])([O-])OCC1OC(CO)(OP(=O)([O-])[O-])C(O)C1O -644.17 C00665 cpd00503
cpd02124_m0 2-Methylacetoacetyl-CoA C26H39N7O18P3S 1 NHNODHRSCRALBF-UHFFFAOYSA-J CC(=O)C(C)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -812.8 C03344 cpd02124
cpd00084_c0 L-Cysteine C3H7NO2S 1 XUJNEKJLAYXESH-REOHCLBHSA-N NC(CS)C(=O)O -83.394 C00097 cpd00084
cpd00032_c0 Oxaloacetate C4H2O5 1 KHPXUQMNIQBQEV-UHFFFAOYSA-L O=C([O-])CC(=O)C(=O)[O-] -190.52 C00036 cpd00032
cpd00985_c0 NH4OH H2O 1 VHUUQVKOLVNVRT-UHFFFAOYSA-O O.[NH4+] -56.687 C01358 cpd00985
cpd00032_e0 Oxaloacetate C4H2O5 1 KHPXUQMNIQBQEV-UHFFFAOYSA-L O=C([O-])CC(=O)C(=O)[O-] -190.52 C00036 cpd00032
M-cereb1-c_c0 cerebroside 1 * 1 cpd00000
cpd00084_e0 L-Cysteine C3H7NO2S 1 XUJNEKJLAYXESH-REOHCLBHSA-N NC(CS)C(=O)O -83.394 C00097 cpd00084
cpd12458_c0 Stearoyl-[acyl-carrier protein] C18H35ORS 1 C04088 cpd12458
cpd00032_m0 Oxaloacetate C4H2O5 1 KHPXUQMNIQBQEV-UHFFFAOYSA-L O=C([O-])CC(=O)C(=O)[O-] -190.52 C00036 cpd00032
cpd00020_e0 Pyruvate C3H3O3 1 LCTONWCANYUPML-UHFFFAOYSA-M CC(=O)C(=O)[O-] -112.69 C00022 cpd00020
cpd00199_m0 4-Oxobutanoate C4H5O3 1 UIUJIQZEACWQSV-UHFFFAOYSA-M O=CCCC(=O)[O-] -110.26 C00232 cpd00199
cpd01695_m0 Myristoyl-CoA C35H59N7O17P3S 1 DUAFKXOFBZQTQE-QSGBVPJFSA-J CCCCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -766.39 C02593 cpd01695
cpd00457_e0 Phosphocholine C5H14NO4P 1 YHHSONZFOIEMCP-UHFFFAOYSA-M C[N+](C)(C)CCOP(=O)([O-])[O-] -200.31 C00588 cpd00457
cpd00274_c0 Citrulline C6H13N3O3 1 RHGKLRLOHDJJDR-BYPYZUCNSA-N N=C(O)NCCCC(N)C(=O)O -123.87 C00327 cpd00274
cpd00260_m0 Isocitrate C6H5O7 1 ODBLHEXUDAPZAU-UHFFFAOYSA-K O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-] -279.02 C00311 cpd00260
cpd00457_c0 Phosphocholine C5H14NO4P 1 YHHSONZFOIEMCP-UHFFFAOYSA-M C[N+](C)(C)CCOP(=O)([O-])[O-] -200.31 C00588 cpd00457
cpd00238_c0 Sedoheptulose7-phosphate C7H14O10P 1 JDTUMPKOJBQPKX-GBNDHIKLSA-L O=C(CO)C(O)C(O)C(O)C(O)COP(=O)([O-])[O-] -466.34 C05382 cpd00238
cpd00020_c0 Pyruvate C3H3O3 1 LCTONWCANYUPML-UHFFFAOYSA-M CC(=O)C(=O)[O-] -112.69 C00022 cpd00020
cpd00118_m0 Putrescine C4H14N2 1 KIDHWZJUCRJVML-UHFFFAOYSA-P [NH3+]CCCC[NH3+] -6.02 C00134 cpd00118
cpd00260_c0 Isocitrate C6H5O7 1 ODBLHEXUDAPZAU-UHFFFAOYSA-K O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-] -279.02 C00311 cpd00260
cpd08926_c0 Phytosphingosine C18H40NO3 1 AERBNCYCJBRYDG-KSZLIROESA-O CCCCCCCCCCCCCCC(O)C(O)C([NH3+])CO -96.48 C12144 cpd08926
cpd00280_e0 D-Galacturonate C6H9O7 1 IAJILQKETJEXLJ-RSJOWCBRSA-M O=CC(O)C(O)C(O)C(O)C(=O)[O-] -259.18 C00333 cpd00280
cpd00015_e0 FAD C27H31N9O15P2 1 IMGVNJNCCGXBHD-UYBVJOGSSA-K Cc1cc2nc3c([O-])nc(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])OP(=O)([O-])OCC3OC([n+]4c[nH]c5c(N)ncnc54)C(O)C3O)c2cc1C -515.07 C00016 cpd00015
cpd08926_e0 Phytosphingosine C18H40NO3 1 AERBNCYCJBRYDG-KSZLIROESA-O CCCCCCCCCCCCCCC(O)C(O)C([NH3+])CO -96.48 C12144 cpd08926
cpd00015_c0 FAD C27H31N9O15P2 1 IMGVNJNCCGXBHD-UYBVJOGSSA-K Cc1cc2nc3c([O-])nc(=O)nc-3n(CC(O)C(O)C(O)COP(=O)([O-])OP(=O)([O-])OCC3OC([n+]4c[nH]c5c(N)ncnc54)C(O)C3O)c2cc1C -515.07 C00016 cpd00015
cpd00049_c0 Carboxylic acid CO2R 1 C00060 cpd00049
cpd22595_c0 anthra[2,3-b]furo[3,2-d]furan-5,10-dione, 3a,12a-dihydro-4,6,8-trihydroxy-, (3aS-cis)- C18H10O7 1 SJNDYXPJRUTLNW-ULCDLSAGSA-N O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C2C=COC2O1 -165.72 cpd22595
cpd00260_e0 Isocitrate C6H5O7 1 ODBLHEXUDAPZAU-UHFFFAOYSA-K O=C([O-])CC(C(=O)[O-])C(O)C(=O)[O-] -279.02 C00311 cpd00260
cpd00207_e0 Guanine C5H5N5O 1 UYTPUPDQBNUYGX-UHFFFAOYSA-N N=c1nc(O)c2nc[nH]c2[nH]1 28.4 C00242 cpd00207
cpd00412_c0 Deoxyuridine C9H12N2O5 1 MXHRCPNRJAMMIM-SHYZEUOFSA-N O=c1nc(O)ccn1C1CC(O)C(CO)O1 -145.43 C00526 cpd00412
cpd00207_c0 Guanine C5H5N5O 1 UYTPUPDQBNUYGX-UHFFFAOYSA-N N=c1nc(O)c2nc[nH]c2[nH]1 28.4 C00242 cpd00207
cpd00118_c0 Putrescine C4H14N2 1 KIDHWZJUCRJVML-UHFFFAOYSA-P [NH3+]CCCC[NH3+] -6.02 C00134 cpd00118
cpd14552_c0 3-Keto-4-methylzymosterol C28H44O 1 DBPZYKHQDWKORQ-RJBGAFQBSA-N CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(=O)C(C)C1CC3 50.76 C15816 cpd14552
M-cronylcoa-m_m0 crotonoyl-CoA * 1 cpd00000
cpd11422_m0 1,2-diacyl-sn-glycerol 3-phosphate C5H6O8PR2 1 C00416 cpd11422
cpd03195_e0 Melibiitol C12H24O11 1 SERLAGPUMNYUCK-GFRRCQKTSA-N OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O -383.92 C05399 cpd03195
cpd00426_c0 Homogentisate C8H7O4 1 IGMNYECMUMZDDF-UHFFFAOYSA-M O=C(O)Cc1cc([O-])ccc1O -128.84 C00544 cpd00426
cpd00056_c0 TPP C12H17N4O7P2S 1 AYEKOFBPNLCAJY-UHFFFAOYSA-M Cc1ncc(C[n+]2csc(CCOP(=O)([O-])OP(=O)([O-])O)c2C)c(=N)[nH]1 -368.32 C00068 cpd00056
cpd11422_c0 1,2-diacyl-sn-glycerol 3-phosphate C5H6O8PR2 1 C00416 cpd11422
cpd11230_c0 Benzylamine C7H10N 1 WGQKYBSKWIADBV-UHFFFAOYSA-O [NH3+]Cc1ccccc1 26.97 C15562 cpd11230
cpd00055_m0 Formaldehyde CH2O 1 WSFSSNUMVMOOMR-UHFFFAOYSA-N C=O -31.2 C00067 cpd00055
cpd00465_c0 Ureidoglycolate C3H5N2O4 1 NWZYYCVIOKVTII-SFOWXEAESA-M N=C(O)NC(O)C(=O)[O-] -163.98 C00603 cpd00465
cpd00812_c0 5-phosphomevalonate C6H11O7P 1 OKZYCXHTTZZYSK-ZCFIWIBFSA-K CC(O)(CCOP(=O)([O-])[O-])CC(=O)[O-] -370.27 C01107 cpd00812
cpd03115_m0 (S)-3-Hydroxytetradecanoyl-CoA C35H59N7O18P3S 1 OXBHKMHNDGRDCZ-UHFFFAOYSA-J CCCCCCCCCCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -804.43 C05260 cpd03115
cpd00808_c0 L-ribulose-5-phosphate C5H10O8P 1 FNZLKVNUWIIPSJ-CRCLSJGQSA-L O=C(CO)C(O)C(O)COP(=O)([O-])[O-] -393.5 C01101 cpd00808
cpd00101_c0 ribose-5-phosphate C5H10O8P 1 PPQRONHOSHZGFQ-LMVFSUKVSA-L O=CC(O)C(O)C(O)COP(=O)([O-])[O-] -392.04 C00117 cpd00101
cpd11230_e0 Benzylamine C7H10N 1 WGQKYBSKWIADBV-UHFFFAOYSA-O [NH3+]Cc1ccccc1 26.97 C15562 cpd11230
cpd00477_m0 N-Acetyl-L-glutamate C7H9NO5 1 RFMMMVDNIPUKGG-YFKPBYRVSA-L CC([O-])=NC(CCC(=O)[O-])C(=O)O -193.73 C00624 cpd00477
cpd00264_e0 Spermidine C7H22N3 1 ATHGHQPFGPMSJY-UHFFFAOYSA-Q [NH3+]CCCC[NH2+]CCC[NH3+] 4.79 C00315 cpd00264
cpd15807_c0 2,5-diamino-6-ribitylamino-4(3H)-pyrimidinone 5'-phosphate C9H17N5O8P 1 ACIVVGBVOVHFPQ-IWGUZYHVSA-L N=c1nc([O-])c(N)c(NCC(O)C(O)C(O)COP(=O)([O-])O)[nH]1 -345.94 C18910 cpd15807
cpd00133_c0 Nicotinamide C6H6N2O 1 DFPAKSUCGFBDDF-UHFFFAOYSA-N N=C(O)c1cccnc1 5.55 C00153 cpd00133
cpd00055_c0 Formaldehyde CH2O 1 WSFSSNUMVMOOMR-UHFFFAOYSA-N C=O -31.2 C00067 cpd00055
cpd00426_m0 Homogentisate C8H7O4 1 IGMNYECMUMZDDF-UHFFFAOYSA-M O=C(O)Cc1cc([O-])ccc1O -128.84 C00544 cpd00426
cpd00381_c0 L-Cystine C6H12N2O4S2 1 LEVWYRKDKASIDU-IMJSIDKUSA-N NC(CSSCC(N)C(=O)O)C(=O)O -159.61 C00491 cpd00381
cpd01297_c0 Glyceride C4H7O4R 1 C01885 cpd01297
cpd16809_c0 inositol-mannose-P-inositol-P-D-ceramide * 1 cpd16809
cpd14514_c0 Episterol C28H46O 1 BTCAEOLDEYPGGE-LPWCLQGBSA-N C=C(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C)C(C)C 36.52 C15777 cpd14514
cpd00074_m0 S H2S 1 NINIDFKCEFEMDL-UHFFFAOYSA-N [S] -6.66 C00087 cpd00074
cpd00293_m0 N-Acetyl-D-glucosamine 6-phosphate C8H15NO9P 1 BRGMHAYQAZFZDJ-RTRLPJTCSA-L CC([O-])=NC1C(O)OC(COP(=O)([O-])O)C(O)C1O -425.13 C00357 cpd00293
cpd00288_m0 D-Glucosamine phosphate C6H14NO8P 1 XHMJOUIAFHJHBW-IVMDWMLBSA-M NC1C(O)OC(COP(=O)([O-])O)C(O)C1O -395.53 C00352 cpd00288
cpd01743_c0 Cerebroside C25H46NO8R 1 C02686 cpd01743
cpd00274_m0 Citrulline C6H13N3O3 1 RHGKLRLOHDJJDR-BYPYZUCNSA-N N=C(O)NCCCC(N)C(=O)O -123.87 C00327 cpd00274
cpd00075_c0 Nitrite NO2 1 IOVCWXUNBOPUCH-UHFFFAOYSA-M O=N[O-] -8.9 C00088 cpd00075
cpd00293_c0 N-Acetyl-D-glucosamine 6-phosphate C8H15NO9P 1 BRGMHAYQAZFZDJ-RTRLPJTCSA-L CC([O-])=NC1C(O)OC(COP(=O)([O-])O)C(O)C1O -425.13 C00357 cpd00293
cpd00705_c0 L-2-Aminoadipate C6H10NO4 1 OYIFNHCXNCRBQI-BYPYZUCNSA-M NC(CCCC(=O)[O-])C(=O)O -162.51 C00956 cpd00705
cpd00074_c0 S H2S 1 NINIDFKCEFEMDL-UHFFFAOYSA-N [S] -6.66 C00087 cpd00074
cpd00898_c0 Inositol 1,4-bisphosphate C6H12O12P2 1 PELZSPZCXGTUMR-RTPHHQFDSA-J O=P([O-])([O-])OC1C(O)C(O)C(OP(=O)([O-])[O-])C(O)C1O -644.96 C01220 cpd00898
cpd00288_c0 D-Glucosamine phosphate C6H14NO8P 1 XHMJOUIAFHJHBW-IVMDWMLBSA-M NC1C(O)OC(COP(=O)([O-])O)C(O)C1O -395.53 C00352 cpd00288
cpd00759_c0 S-Formylglutathione C11H16N3O7S 1 FHXAGOICBFGEBF-BQBZGAKWSA-M NC(CCC([O-])=NC(CSC=O)C(O)=NCC(=O)O)C(=O)O -253.14 C01031 cpd00759
cpd00705_m0 L-2-Aminoadipate C6H10NO4 1 OYIFNHCXNCRBQI-BYPYZUCNSA-M NC(CCCC(=O)[O-])C(=O)O -162.51 C00956 cpd00705
cpd12801_c0 Cardiolipin C13H16O17P2R4 1 C05980 cpd12801
cpd03126_m0 (2E)-Hexadecenoyl-CoA C37H61N7O17P3S 1 JUPAQFRKPHPXLD-MSHHSVQMSA-J CCCCCCCCCCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -742.34 C05272 cpd03126
cpd00857_c0 Provitamin D3 C27H44O 1 UCTLRSWJYQTBFZ-HBSMUTCNSA-N CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C 30.13 C01164 cpd00857
cpd00167_c0 Ceramide C19H36NO3R 1 C00195 cpd00167
cpd00179_c0 Maltose C12H24O11 1 VQHSOMBJVWLPSR-WUJBLJFYSA-N OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO -383.92 C00208 cpd00179
cpd00447_c0 Betaine aldehyde C5H12NO 1 SXKNCCSPZDCRFD-UHFFFAOYSA-N C[N+](C)(C)CC=O 21.67 C00576 cpd00447
cpd00220_e0 Riboflavin C17H20N4O6 1 AUNGANRZJHBGPY-SCRDCRAPSA-M Cc1cc2nc3c([O-])nc(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C -110.72 C00255 cpd00220
cpd00080_e0 Glycerol-3-phosphate C3H8O6P 1 AWUCVROLDVIAJX-GSVOUGTGSA-L O=P([O-])([O-])OCC(O)CO -328.68 C00093 cpd00080
cpd00223_c0 Glycerate C3H5O4 1 RBNPOMFGQQGHHO-UWTATZPHSA-M O=C([O-])C(O)CO -159.4 C00258 cpd00223
cpd00703_c0 Indoleacetate C10H8NO2 1 SEOVTRFCIGRIMH-UHFFFAOYSA-M O=C([O-])Cc1c[nH]c2ccccc12 -23.83 C00954 cpd00703
cpd00227_c0 L-Homoserine C4H9NO3 1 UKAUYVFTDYCKQA-VKHMYHEASA-N NC(CCO)C(=O)O -122.53 C00263 cpd00227
cpd00220_c0 Riboflavin C17H20N4O6 1 AUNGANRZJHBGPY-SCRDCRAPSA-M Cc1cc2nc3c([O-])nc(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C -110.72 C00255 cpd00220
cpd00080_c0 Glycerol-3-phosphate C3H8O6P 1 AWUCVROLDVIAJX-GSVOUGTGSA-L O=P([O-])([O-])OCC(O)CO -328.68 C00093 cpd00080
cpd00623_c0 Sphinganine C18H40NO2 1 OTKJDMGTUTTYMP-ZWKOTPCHSA-O CCCCCCCCCCCCCCCC(O)C([NH3+])CO -58.44 C00836 cpd00623
cpd12801_m0 Cardiolipin C13H16O17P2R4 1 C05980 cpd12801
cpd00205_m0 K+ K 1 NPYPAHLBTDXSSS-UHFFFAOYSA-N [K+] C00238 cpd00205
cpd00091_c0 UMP C9H12N2O9P 1 DJJCXFVJDGTHFX-XVFCMESISA-L O=c1nc([O-])ccn1C1OC(COP(=O)([O-])O)C(O)C1O -397.77 C00105 cpd00091
cpd02120_c0 Dihydrodipicolinate C7H5NO4 1 UWOCFOFVIBZJGH-YFKPBYRVSA-L O=C([O-])C1=NC(C(=O)[O-])CC=C1 -133.7 C03340 cpd02120
cpd00167_e0 Ceramide C19H36NO3R 1 C00195 cpd00167
cpd00179_e0 Maltose C12H24O11 1 VQHSOMBJVWLPSR-WUJBLJFYSA-N OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO -383.92 C00208 cpd00179
cpd11486_c0 3-Oxohexanoyl-[acp] C6H9O2RS 1 C05746 cpd11486
cpd14936_m0 3-Hydroxystearoyl-CoA C39H67N7O18P3S 1 WZMAIEGYXCOYSH-FWBOWLIOSA-J CCCCCCCCCCCCCCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -797.95 C16217 cpd14936
M-glucer2-c_c0 Glucocerebroside 2 * 1 cpd00000
cpd02182_c0 (R)-S-Lactoylglutathione C13H20N3O8S 1 VDYDCVUWILIYQF-UHFFFAOYSA-M CC(O)C(=O)SCC(N=C([O-])CCC(N)C(=O)O)C(O)=NCC(=O)O -291.21 C03451 cpd02182
cpd00219_c0 Prephenate C10H8O6 1 FPWMCUPFBRFMLH-XGAOUMNUSA-L O=C([O-])C(=O)CC1(C(=O)[O-])C=CC(O)C=C1 -186.17 C00254 cpd00219
cpd00357_c0 TTP C10H14N2O14P3 1 NHVNXKFIZYSCEB-XLPZGREQSA-K Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O2)c(=O)nc1[O-] -774.34 C00459 cpd00357
cpd00205_e0 K+ K 1 NPYPAHLBTDXSSS-UHFFFAOYSA-N [K+] C00238 cpd00205
cpd00205_c0 K+ K 1 NPYPAHLBTDXSSS-UHFFFAOYSA-N [K+] C00238 cpd00205
cpd00041_e0 L-Aspartate C4H6NO4 1 CKLJMWTZIZZHCS-REOHCLBHSA-M NC(CC(=O)[O-])C(=O)O -165.75 C00049 cpd00041
cpd00041_c0 L-Aspartate C4H6NO4 1 CKLJMWTZIZZHCS-REOHCLBHSA-M NC(CC(=O)[O-])C(=O)O -165.75 C00049 cpd00041
M-cda-c_c0 Cholesta-8,24-dien-3-ol-4-carboxylate * 1 cpd00000
cpd00277_c0 Deoxyguanosine C10H13N5O4 1 YKBGVTZYEHREMT-KVQBGUIXSA-N N=c1nc(O)c2ncn(C3CC(O)C(CO)O3)c2[nH]1 -55.96 C00330 cpd00277
cpd00041_m0 L-Aspartate C4H6NO4 1 CKLJMWTZIZZHCS-REOHCLBHSA-M NC(CC(=O)[O-])C(=O)O -165.75 C00049 cpd00041
M-a6rp-c_c0 5-amino-6-(D-ribitylamino)uracil * 1 cpd00000
cpd00939_c0 Toxopyrimidine C6H9N3O 1 VUTBELPREDJDDH-UHFFFAOYSA-N Cc1ncc(CO)c(=N)[nH]1 8.46 C01279 cpd00939
cpd00080_m0 Glycerol-3-phosphate C3H8O6P 1 AWUCVROLDVIAJX-GSVOUGTGSA-L O=P([O-])([O-])OCC(O)CO -328.68 C00093 cpd00080
cpd00060_m0 L-Methionine C5H11NO2S 1 FFEARJCKVFRZRR-BYPYZUCNSA-N CSCCC(N)C(=O)O -75.91 C00073 cpd00060
cpd01507_m0 3-Oxoadipyl-CoA C27H38N7O20P3S 1 VKKKAAPGXHWXOO-BIEWRJSYSA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CC(=O)CCC(=O)[O-] -888.82 C02232 cpd01507
cpd00266_c0 Carnitine C7H15NO3 1 PHIQHXFUZVPYII-ZCFIWIBFSA-N C[N+](C)(C)CC(O)CC(=O)[O-] -65.83 C00318 cpd00266
cpd00098_e0 Choline C5H14NO 1 OEYIOHPDSNJKLS-UHFFFAOYSA-N C[N+](C)(C)CCO 12.19 C00114 cpd00098
cpd00756_m0 Dimethylglycine C4H9NO2 1 FFDGPVCHZBVARC-UHFFFAOYSA-N CN(C)CC(=O)O -73.28 C01026 cpd00756
cpd00098_c0 Choline C5H14NO 1 OEYIOHPDSNJKLS-UHFFFAOYSA-N C[N+](C)(C)CCO 12.19 C00114 cpd00098
cpd00060_e0 L-Methionine C5H11NO2S 1 FFEARJCKVFRZRR-BYPYZUCNSA-N CSCCC(N)C(=O)O -75.91 C00073 cpd00060
cpd00410_m0 Cytochrome c C42H42FeN8O8R4S2 1 C00524 cpd00410
cpd00017_m0 S-Adenosyl-L-methionine C15H23N6O5S 1 MEFKEPWMEQBLKI-AIRLBKTGSA-O C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O -66.63 C00019 cpd00017
cpd00249_c0 Uridine C9H12N2O6 1 DRTQHJPVMGBUCF-XVFCMESISA-N O=c1nc(O)ccn1C1OC(CO)C(O)C1O -185.27 C00299 cpd00249
cpd00266_m0 Carnitine C7H15NO3 1 PHIQHXFUZVPYII-ZCFIWIBFSA-N C[N+](C)(C)CC(O)CC(=O)[O-] -65.83 C00318 cpd00266
cpd00060_c0 L-Methionine C5H11NO2S 1 FFEARJCKVFRZRR-BYPYZUCNSA-N CSCCC(N)C(=O)O -75.91 C00073 cpd00060
cpd00146_m0 Carbamoylphosphate CH3NO5P 1 FFQKYPRQEYGKAF-UHFFFAOYSA-L N=C([O-])OP(=O)([O-])O -310.26 C00169 cpd00146
cpd00017_c0 S-Adenosyl-L-methionine C15H23N6O5S 1 MEFKEPWMEQBLKI-AIRLBKTGSA-O C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O -66.63 C00019 cpd00017
cpd02678_c0 N-Formyl-GAR C8H14N2O9P 1 VDXLUNDMVKSKHO-XVFCMESISA-L O=P(O)(O)OCC1OC(N=C([O-])CN=C[O-])C(O)C1O -417.4 C04376 cpd02678
cpd03113_m0 (S)-3-Hydroxyhexadecanoyl-CoA C37H63N7O18P3S 1 DEHLMTDDPWDRDR-QQOJFMBSSA-J CCCCCCCCCCCCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -801.19 C05258 cpd03113
cpd00146_c0 Carbamoylphosphate CH3NO5P 1 FFQKYPRQEYGKAF-UHFFFAOYSA-L N=C([O-])OP(=O)([O-])O -310.26 C00169 cpd00146
cpd00123_m0 3-Methyl-2-oxobutanoate C5H7O3 1 QHKABHOOEWYVLI-UHFFFAOYSA-M CC(C)C(=O)C(=O)[O-] -111.26 C00141 cpd00123
cpd00090_m0 IDP C10H12N4O11P2 1 JPXZQMKKFWMMGK-KQYNXXCUSA-L O=P([O-])(O)OP(=O)(O)OCC1OC(n2cnc3c([O-])ncnc32)C(O)C1O -521.58 C00104 cpd00090
cpd03223_c0 5,7,22,24(28)-Ergostatetraenol C28H42O 1 SQFQJKZSFOZDJY-CVGLIYDESA-N C=C(C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C)C(C)C 68.62 C05440 cpd03223
cpd00876_c0 3-Hydroxyisobutyrate C4H7O3 1 DBXBTMSZEOQQDU-VKHMYHEASA-M CC(CO)C(=O)[O-] -121.55 C01188 cpd00876
cpd12241_c0 Glucuronide C6H8O7R 1 C03033 cpd12241
cpd11979_c0 Steryl ester C18H27O2R 1 C01958 cpd11979
cpd01133_e0 Stachyose C24H42O21 1 UQZIYBXSHAGNOE-XNSRJBNMSA-N OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O -694.61 C01613 cpd01133
cpd00447_e0 Betaine aldehyde C5H12NO 1 SXKNCCSPZDCRFD-UHFFFAOYSA-N C[N+](C)(C)CC=O 21.67 C00576 cpd00447
cpd00658_c0 Isochorismate C10H8O6 1 NTGWPRCCOQCMGE-YUMQZZPRSA-L C=C(OC1C=CC=C(C(=O)[O-])C1O)C(=O)[O-] -169.49 C00885 cpd00658
cpd00764_m0 7-8-Diaminononanoate C9H21N2O2 1 KCEGBPIYGIWCDH-UHFFFAOYSA-O CC([NH3+])C(N)CCCCCC(=O)O -80.99 C01037 cpd00764
cpd00483_c0 3-Hydroxyanthranilate C7H6NO3 1 WJXSWCUQABXPFS-UHFFFAOYSA-M Nc1c([O-])cccc1C(=O)O -88.47 C00632 cpd00483
cpd00249_e0 Uridine C9H12N2O6 1 DRTQHJPVMGBUCF-XVFCMESISA-N O=c1nc(O)ccn1C1OC(CO)C(O)C1O -185.27 C00299 cpd00249
cpd00366_c0 Ribitol C5H12O5 1 HEBKCHPVOIAQTA-ZXFHETKHSA-N OCC(O)C(O)C(O)CO -189.02 C00474 cpd00366
cpd00727_c0 2-Phosphoglycolate C2H3O6P 1 ASCFNMCAHFUBCO-UHFFFAOYSA-K O=C([O-])COP(=O)([O-])[O-] -335.48 C00988 cpd00727
cpd00876_m0 3-Hydroxyisobutyrate C4H7O3 1 DBXBTMSZEOQQDU-VKHMYHEASA-M CC(CO)C(=O)[O-] -121.55 C01188 cpd00876
cpd00090_c0 IDP C10H12N4O11P2 1 JPXZQMKKFWMMGK-KQYNXXCUSA-L O=P([O-])(O)OP(=O)(O)OCC1OC(n2cnc3c([O-])ncnc32)C(O)C1O -521.58 C00104 cpd00090
cpd01335_c0 Octanoyl-CoA C29H47N7O17P3S 1 KQMZYOXOBSXMII-CECATXLMSA-J CCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -776.11 C01944 cpd01335
cpd01122_e0 Linoleate C18H31O2 1 OYHQOLUKZRVURQ-HZJYTTRNSA-M CCCCCC=CCC=CCCCCCCCC(=O)[O-] -16.11 C01595 cpd01122
cpd00630_m0 3-Oxoadipate C6H6O5 1 RTGHRDFWYQHVFW-UHFFFAOYSA-L O=C([O-])CCC(=O)CC(=O)[O-] -189.74 C00846 cpd00630
cpd02991_c0 phosphoribulosylformimino-AICAR-phosphate C15H23N5O15P2 1 BLKFNHOCHNCLII-GHVQHMAVSA-J NC(=O)c1ncn(C2OC(COP(=O)([O-])[O-])C(O)C2O)c1NC=NCC(=O)C(O)C(O)COP(=O)([O-])[O-] -651.25 C04916 cpd02991
cpd11487_c0 3-oxodecanoyl-acp C10H17O2RS 1 C05753 cpd11487
cpd01758_c0 N-Acetylputrescine C6H15N2O 1 KLZGKIDSEJWEDW-UHFFFAOYSA-O CC(O)=NCCCC[NH3+] -35.62 C02714 cpd01758
cpd00098_m0 Choline C5H14NO 1 OEYIOHPDSNJKLS-UHFFFAOYSA-N C[N+](C)(C)CCO 12.19 C00114 cpd00098
cpd01335_m0 Octanoyl-CoA C29H47N7O17P3S 1 KQMZYOXOBSXMII-CECATXLMSA-J CCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -776.11 C01944 cpd01335
cpd01741_e0 ddca C12H23O2 1 POULHZVOKOAJMA-UHFFFAOYSA-M CCCCCCCCCCCC(=O)[O-] -70.55 C02679 cpd01741
cpd00139_m0 Glycolate C2H3O3 1 AEMRFAOFKBGASW-UHFFFAOYSA-M O=C([O-])CO -122.98 C00160 cpd00139
cpd01741_c0 ddca C12H23O2 1 POULHZVOKOAJMA-UHFFFAOYSA-M CCCCCCCCCCCC(=O)[O-] -70.55 C02679 cpd01741
cpd03125_m0 (2E)-Hexenoyl-CoA C27H41N7O17P3S 1 OINXHIBNZUUIMR-HSRXZYSASA-J CCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -758.54 C05271 cpd03125
cpd11677_c0 Triglyceride C6H5O6R3 1 C00422 cpd11677
cpd00139_c0 Glycolate C2H3O3 1 AEMRFAOFKBGASW-UHFFFAOYSA-M O=C([O-])CO -122.98 C00160 cpd00139
cpd00036_e0 Succinate C4H4O4 1 KDYFGRWQOYBRFD-UHFFFAOYSA-L O=C([O-])CCC(=O)[O-] -162.96 C00042 cpd00036
cpd00196_c0 Acetylphosphate C2H4O5P 1 LIPOUNRJVLNBCD-UHFFFAOYSA-L CC(=O)OP(=O)([O-])[O-] -301.65 C00227 cpd00196
cpd01122_c0 Linoleate C18H31O2 1 OYHQOLUKZRVURQ-HZJYTTRNSA-M CCCCCC=CCC=CCCCCCCCC(=O)[O-] -16.11 C01595 cpd01122
cpd00036_c0 Succinate C4H4O4 1 KDYFGRWQOYBRFD-UHFFFAOYSA-L O=C([O-])CCC(=O)[O-] -162.96 C00042 cpd00036
cpd00068_c0 ITP C10H12N4O14P3 1 HAEJPQIATWHALX-KQYNXXCUSA-K O=P([O-])([O-])OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c([O-])ncnc32)C(O)C1O -729.58 C00081 cpd00068
cpd00109_m0 Cytochrome c3+ C42H42FeN8O8R4S2 1 C00125 cpd00109
cpd29962_e0 Octadecatrienoic Acid * 1 cpd29962
cpd00762_c0 4-Guanidinobutanoate C5H11N3O2 1 TUHVEAJXIMEOSA-UHFFFAOYSA-N N=C(N)NCCCC(=O)O -72.6 C01035 cpd00762
cpd01017_c0 Cys-Gly C5H10N2O3S 1 ZUKPVRWZDMRIEO-VKHMYHEASA-N NC(CS)C(O)=NCC(=O)O -113.974 C01419 cpd01017
cpd00307_e0 Cytosine C4H5N3O 1 OPTASPLRGRRNAP-UHFFFAOYSA-N N=c1ccnc(O)[nH]1 -8.68 C00380 cpd00307
cpd00123_c0 3-Methyl-2-oxobutanoate C5H7O3 1 QHKABHOOEWYVLI-UHFFFAOYSA-M CC(C)C(=O)C(=O)[O-] -111.26 C00141 cpd00123
cpd00307_c0 Cytosine C4H5N3O 1 OPTASPLRGRRNAP-UHFFFAOYSA-N N=c1ccnc(O)[nH]1 -8.68 C00380 cpd00307
cpd00019_c0 S-Adenosyl-homocysteine C14H20N6O5S 1 ZJUKTBDSGOFHSH-WFMPWKQPSA-N Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O -76.11 C00021 cpd00019
cpd11484_c0 HMA C14H27O2RS 1 C04688 cpd11484
cpd00588_c0 Sorbitol C6H14O6 1 FBPFZTCFMRRESA-JGWLITMVSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C00794 cpd00588
cpd00588_e0 Sorbitol C6H14O6 1 FBPFZTCFMRRESA-JGWLITMVSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C00794 cpd00588
cpd00071_m0 Acetaldehyde C2H4O 1 IKHGUXGNUITLKF-UHFFFAOYSA-N CC=O -33.4 C00084 cpd00071
cpd11482_c0 (R)-3-Hydroxydecanoyl-[acyl-carrier protein] C10H19O2RS 1 C04619 cpd11482
cpd00068_m0 ITP C10H12N4O14P3 1 HAEJPQIATWHALX-KQYNXXCUSA-K O=P([O-])([O-])OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c([O-])ncnc32)C(O)C1O -729.58 C00081 cpd00068
cpd11837_c0 Phosphatidylinositol 4-phosphate C11H16O16P2R2 1 C01277 cpd11837
cpd00162_c0 Aminoethanol C2H8NO 1 HZAXFHJVJLSVMW-UHFFFAOYSA-O [NH3+]CCO -44.51 C00189 cpd00162
cpd00004_m0 NADH C21H27N7O14P2 1 BOPGDPNILDQYTO-NNYOXOHSSA-L N=C([O-])C1=CN(C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1 -524.32 C00004 cpd00004
cpd00071_c0 Acetaldehyde C2H4O 1 IKHGUXGNUITLKF-UHFFFAOYSA-N CC=O -33.4 C00084 cpd00071
cpd05191_c0 3-Methylthiopropionate C4H7O2S 1 CAOMCZAIALVUPA-UHFFFAOYSA-M CSCCC(=O)[O-] -74.74 C08276 cpd05191
cpd19028_c0 alpha-D-Ribose 5-phosphate C5H9O8P 1 KTVPXOYAKDPRHY-AIHAYLRMSA-N O=P(O)(O)OCC1OC(O)C(O)C1O cpd19028
cpd00794_e0 TRHL C12H22O11 1 HDTRYLNUVZCQOY-LIZSDCNHSA-N OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C01083 cpd00794
cpd02375_c0 Adenylosuccinate C14H15N5O11P 1 OFBHPPMPBOJXRT-DPXQIYNJSA-J O=C([O-])CC(Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O)C(=O)[O-] -408.89 C03794 cpd02375
cpd00004_e0 NADH C21H27N7O14P2 1 BOPGDPNILDQYTO-NNYOXOHSSA-L N=C([O-])C1=CN(C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1 -524.32 C00004 cpd00004
cpd00264_c0 Spermidine C7H22N3 1 ATHGHQPFGPMSJY-UHFFFAOYSA-Q [NH3+]CCCC[NH2+]CCC[NH3+] 4.79 C00315 cpd00264
cpd00004_c0 NADH C21H27N7O14P2 1 BOPGDPNILDQYTO-NNYOXOHSSA-L N=C([O-])C1=CN(C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1 -524.32 C00004 cpd00004
cpd00794_c0 TRHL C12H22O11 1 HDTRYLNUVZCQOY-LIZSDCNHSA-N OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C01083 cpd00794
M-dhomst-c_c0 dihydro-O-methylsterigmatocystin * 1 cpd00000
cpd00036_m0 Succinate C4H4O4 1 KDYFGRWQOYBRFD-UHFFFAOYSA-L O=C([O-])CCC(=O)[O-] -162.96 C00042 cpd00036
cpd00217_c0 Brachiose C12H22O11 1 DLRVVLDZNNYCBX-BTLHAWITSA-N OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C00252 cpd00217
cpd01293_c0 5-Oxoproline C5H6NO3 1 ODHCTXKNWHHXJC-VKHMYHEASA-M O=C(O)C1CCC([O-])=N1 -110.12 C01879 cpd01293
cpd00021_c0 Fe2+ Fe 1 XEEYBQQBJWHFJM-UHFFFAOYSA-N [Fe] 0 C00023 cpd00021
cpd00212_c0 L-Sorbose C6H12O6 1 LKDRXBCSQODPBY-AMVSKUEXSA-N OCC1(O)OCC(O)C(O)C1O -217.61 C00247 cpd00212
cpd02317_c0 O-Methylsterigmatocystin C19H14O6 1 JKUJKKGMOZDDJV-ZRNGKTOUSA-N COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)OC1OC=CC41 -100.34 C03686 cpd02317
cpd00021_e0 Fe2+ Fe 1 XEEYBQQBJWHFJM-UHFFFAOYSA-N [Fe] 0 C00023 cpd00021
cpd00212_e0 L-Sorbose C6H12O6 1 LKDRXBCSQODPBY-AMVSKUEXSA-N OCC1(O)OCC(O)C(O)C1O -217.61 C00247 cpd00212
cpd00019_m0 S-Adenosyl-homocysteine C14H20N6O5S 1 ZJUKTBDSGOFHSH-WFMPWKQPSA-N Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O -76.11 C00021 cpd00019
cpd02611_c0 N-Acetyl-D-glucosamine1-phosphate C8H15NO9P 1 FZLJPEPAYPUMMR-UOLFYFMNSA-L CC([O-])=NC1C(OP(=O)([O-])O)OC(CO)C(O)C1O -425.13 C04256 cpd02611
cpd00217_e0 Brachiose C12H22O11 1 DLRVVLDZNNYCBX-BTLHAWITSA-N OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C00252 cpd00217
cpd00073_e0 Urea CH4N2O 1 XSQUKJJJFZCRTK-UHFFFAOYSA-N N=C(N)O -48.7 C00086 cpd00073
cpd14939_c0 3-Hydroxystearoyl-[acp] C18H35O2RS 1 C16220 cpd14939
cpd00478_c0 Pyridoxine phosphate C8H11NO6P 1 WHOMFKWHIQZTHY-UHFFFAOYSA-L Cc1ncc(COP(=O)([O-])O)c(CO)c1[O-] -279.93 C00627 cpd00478
cpd00197_e0 Protocatechuate C7H5O4 1 YQUVCSBJEUQKSH-UHFFFAOYSA-M O=C(O)c1ccc([O-])c(O)c1 -132.01 C00230 cpd00197
cpd02230_c0 Inositol 4-phosphate C6H12O9P 1 INAPMGSXUVUWAF-CNWJWELYSA-L O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O -432.46 C03546 cpd02230
cpd00073_m0 Urea CH4N2O 1 XSQUKJJJFZCRTK-UHFFFAOYSA-N N=C(N)O -48.7 C00086 cpd00073
cpd01504_c0 3-Aminopropanal C3H8NO 1 PCXDJQZLDDHMGX-UHFFFAOYSA-O [NH3+]CCC=O -33.41 C05665 cpd01504
M-papce-c_c0 3,4-Dihydroxybenzoate * 1 cpd00000
cpd00048_c0 Sulfate O4S 1 QAOWNCQODCNURD-UHFFFAOYSA-L O=S(=O)([O-])[O-] -177.97 C00059 cpd00048
M-dmlr-c_c0 6,7-Dimethyl-8-(D-ribityl)lumazine * 1 cpd00000
cpd00509_c0 deoxyribose-1-phosphate C5H10O7P 1 KBDKAJNTYKVSEK-VPENINKCSA-L O=P([O-])([O-])OC1CC(O)C(CO)O1 -354.28 C00672 cpd00509
cpd00073_c0 Urea CH4N2O 1 XSQUKJJJFZCRTK-UHFFFAOYSA-N N=C(N)O -48.7 C00086 cpd00073
cpd14613_m0 2-Methyl-6-phytylquinol C27H46O2 1 GTWCNYRFOZKWTL-UOFXASEASA-N CC(=CCc1cc(O)cc(C)c1O)CCCC(C)CCCC(C)CCCC(C)C -7.3 C15882 cpd14613
cpd11295_c0 2,3-diketo5-methylthio-1-phosphopentane C6H10O6PS 1 HKEAOVFNWRDVAJ-UHFFFAOYSA-L CSCCC(=O)C(=O)COP(=O)([O-])[O-] -298.36 C15650 cpd11295
cpd00128_e0 Adenine C5H5N5 1 GFFGJBXGBJISGV-UHFFFAOYSA-N Nc1nc[nH]c2ncnc1-2 78.85 C00147 cpd00128
cpd29962_c0 Octadecatrienoic Acid * 1 cpd29962
cpd00128_c0 Adenine C5H5N5 1 GFFGJBXGBJISGV-UHFFFAOYSA-N Nc1nc[nH]c2ncnc1-2 78.85 C00147 cpd00128
cpd01973_c0 4-Guanidinobutanamide C5H13N4O 1 YHVFECVVGNXFKO-UHFFFAOYSA-O N=C(N)NCCCC(=[NH2+])O -30.16 C03078 cpd01973
cpd12120_c0 1,4-beta-D-Mannan C6H10O52 1 C02492 cpd12120
cpd00978_c0 dUDP C9H12N2O11P2 1 QHWZTVCCBMIIKE-SHYZEUOFSA-L O=c1nc([O-])ccn1C1CC(O)C(COP(=O)(O)OP(=O)([O-])O)O1 -565.93 C01346 cpd00978
cpd03198_c0 Melibiose C12H22O11 1 DLRVVLDZNNYCBX-ZZFZYMBESA-N OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C05402 cpd03198
cpd11669_m0 Q C19H26O4 1 SQQWBSBBCSFQGC-JLHYYAGUSA-N COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)C)=C(C)C1=O -26.04 C00399 cpd11669
cpd01307_c0 D-Lyxitol C5H12O5 1 HEBKCHPVOIAQTA-QWWZWVQMSA-N OCC(O)C(O)C(O)CO -189.02 C01904 cpd01307
cpd00048_e0 Sulfate O4S 1 QAOWNCQODCNURD-UHFFFAOYSA-L O=S(=O)([O-])[O-] -177.97 C00059 cpd00048
cpd03198_e0 Melibiose C12H22O11 1 DLRVVLDZNNYCBX-ZZFZYMBESA-N OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O -376.76 C05402 cpd03198
cpd02345_c0 L-Glutamate1-semialdehyde C5H9NO3 1 MPUUQNGXJSEWTF-BYPYZUCNSA-N NC(C=O)CCC(=O)O -111.43 C03741 cpd02345
cpd01307_e0 D-Lyxitol C5H12O5 1 HEBKCHPVOIAQTA-QWWZWVQMSA-N OCC(O)C(O)C(O)CO -189.02 C01904 cpd01307
cpd03127_m0 (2E)-Tetradecenoyl-CoA C35H57N7O17P3S 1 MBCVYCOKMMMWLX-YYMFEJJQSA-J CCCCCCCCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -745.58 C05273 cpd03127
cpd00653_c0 D-Galactonate C6H11O7 1 RGHNJXZEOKUKBD-MGCNEYSASA-M O=C([O-])C(O)C(O)C(O)C(O)CO -268.66 C00880 cpd00653
cpd00092_c0 Uracil C4H4N2O2 1 ISAKRJDGNUQOIC-UHFFFAOYSA-N Oc1ccnc(O)n1 -61.07 C00106 cpd00092
cpd00337_c0 Hydrouracil C4H6N2O2 1 OIVLITBTBDPEFK-UHFFFAOYSA-N OC1=NC(O)=NCC1 -70.08 C00429 cpd00337
cpd01974_c0 4-Hydroxy-L-glutamate C5H8NO5 1 HBDWQSHEVMSFGY-STHAYSLISA-M NC(CC(O)C(=O)O)C(=O)[O-] -202.17 C03079 cpd01974
cpd00653_e0 D-Galactonate C6H11O7 1 RGHNJXZEOKUKBD-MGCNEYSASA-M O=C([O-])C(O)C(O)C(O)C(O)CO -268.66 C00880 cpd00653
cpd02345_m0 L-Glutamate1-semialdehyde C5H9NO3 1 MPUUQNGXJSEWTF-BYPYZUCNSA-N NC(C=O)CCC(=O)O -111.43 C03741 cpd02345
cpd00092_e0 Uracil C4H4N2O2 1 ISAKRJDGNUQOIC-UHFFFAOYSA-N Oc1ccnc(O)n1 -61.07 C00106 cpd00092
cpd00630_c0 3-Oxoadipate C6H6O5 1 RTGHRDFWYQHVFW-UHFFFAOYSA-L O=C([O-])CCC(=O)CC(=O)[O-] -189.74 C00846 cpd00630
cpd03448_m0 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C48H72O3 1 FLYBTLROCQBHMR-KFSSTAEESA-N COC1=CC(=O)C(C)=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O 166.11 C05814 cpd03448
cpd11686_e0 Pectate C18H23O19 1 LCLHHZYHLXDRQG-XIDBBRFWSA-K O=C([O-])C1OC(OC2C(C(=O)[O-])OC(OC3C(C(=O)[O-])OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O -664.9 C00470 cpd11686
cpd11476_c0 hexadecanoyl-acp C16H31ORS 1 C05764 cpd11476
cpd02780_e0 Inositol 1,2,4,5,6-pentakisphosphate C6H12O21P5 1 CTPQAXVNYGZUAJ-XCMZKKERSA-D O=P([O-])([O-])OC1C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-] -1282.46 C04563 cpd02780
cpd00267_e0 Sphingoid C18H38NO2 1 WWUZIQQURGPMPG-KRWOKUGFSA-O CCCCCCCCCCCCCC=CC(O)C([NH3+])CO -36.08 C00319 cpd00267
cpd01498_c0 Maleylacetate C6H4O5 1 SOXXPQLIZIPMIZ-UPHRSURJSA-L O=C([O-])C=CC(=O)CC(=O)[O-] -170.48 C02222 cpd01498
cpd00132_e0 L-Asparagine C4H8N2O3 1 DCXYFEDJOCDNAF-REOHCLBHSA-N N=C(O)CC(N)C(=O)O -123.31 C00152 cpd00132
cpd00267_c0 Sphingoid C18H38NO2 1 WWUZIQQURGPMPG-KRWOKUGFSA-O CCCCCCCCCCCCCC=CC(O)C([NH3+])CO -36.08 C00319 cpd00267
cpd00132_c0 L-Asparagine C4H8N2O3 1 DCXYFEDJOCDNAF-REOHCLBHSA-N N=C(O)CC(N)C(=O)O -123.31 C00152 cpd00132
M-c183acp-c_c0 octadecatrienoyl-[acp] * 1 cpd00000
cpd04123_m0 (11E)-Tetradecenoyl-CoA C35H57N7O17P3S 1 WFGNMSCJASVFQK-XNKJMYHLSA-J CCC=CCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -744.03 C06736 cpd04123
cpd03117_m0 3-Oxododecanoyl-CoA C33H53N7O18P3S 1 HQANBZHVWIDNQZ-GMHMEAMDSA-J CCCCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -799.65 C05263 cpd03117
cpd03470_c0 Iminoaspartate C4H3NO4 1 NMUOATVLLQEYHI-UHFFFAOYSA-L N=C(CC(=O)[O-])C(=O)[O-] -173.6 C05840 cpd03470
cpd02060_m0 (2E)-Dodecenoyl-CoA C33H53N7O17P3S 1 IRFYVBULXZMEDE-XCFIPPSPSA-J CCCCCCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -748.82 C03221 cpd02060
cpd00918_m0 2-Acetamido-5-oxopentanoate C7H10NO4 1 BCPSFKBPHHBDAI-LURJTMIESA-M CC([O-])=NC(CCC=O)C(=O)O -141.03 C01250 cpd00918
M-lpmme-c_c0 lysophosphatidyl-N-methylethanolamine * 1 cpd00000
cpd24510_c0 dihydrosterigmatocystin C18H14O6 1 RHGQIWVTIHZRLI-DCXZOGHSSA-N COc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1CCOC1O2 -125.55 cpd24510
cpd00347_c0 5-10-Methenyltetrahydrofolate C20H20N7O6 1 MEANFMOQMXYMCT-OLZOCXBDSA-M N=c1nc(O)c2c([nH]1)NCC1C[N+](c3ccc(C(O)=NC(CCC(=O)[O-])C(=O)[O-])cc3)=CN21 -97 C00445 cpd00347
cpd02639_c0 D-myo-Inositol 1,2-cyclic phosphate C6H10O8P 1 SXHMVNXROAUURW-FTYOSCRSSA-M O=P1([O-])OC2C(O)C(O)C(O)C(O)C2O1 -368.04 C04299 cpd02639
cpd00045_c0 Adenosine 3-5-bisphosphate C10H13N5O10P2 1 WHTCPDAXWFLDIH-KQYNXXCUSA-J Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1O -470.35 C00054 cpd00045
cpd00061_c0 Phosphoenolpyruvate C3H3O6P 1 DTBNBXWJWCWCIK-UHFFFAOYSA-K C=C(OP(=O)([O-])[O-])C(=O)[O-] -316.08 C00074 cpd00061
cpd00045_m0 Adenosine 3-5-bisphosphate C10H13N5O10P2 1 WHTCPDAXWFLDIH-KQYNXXCUSA-J Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1O -470.35 C00054 cpd00045
cpd04123_c0 (11E)-Tetradecenoyl-CoA C35H57N7O17P3S 1 WFGNMSCJASVFQK-XNKJMYHLSA-J CCC=CCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -744.03 C06736 cpd04123
cpd00147_c0 5-Methylthioadenosine C11H15N5O3S 1 WUUGFSXJNOTRMR-IOSLPCCCSA-N CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O 1.27 C00170 cpd00147
cpd11312_m0 hemeA C49H54FeN4O6 1 ZGGYGTCPXNDTRV-ONCSLILDSA-J C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)[O-])C4=C[O-])C=c4[n-]c(c(C)c4CCC(=O)[O-])=CC1=N2)C(C)=C3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+2] C15670 cpd11312
cpd00190_c0 beta-D-Glucose C6H12O6 1 WQZGKKKJIJFFOK-VFUOTHLCSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00221 cpd00190
cpd00190_e0 beta-D-Glucose C6H12O6 1 WQZGKKKJIJFFOK-VFUOTHLCSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00221 cpd00190
cpd11685_e0 Mannan C18H32O16 1 -535.24 C00464 cpd11685
cpd00641_c0 L-Histidinol C6H12N3O 1 ZQISRDCJNBUVMM-YFKPBYRVSA-O [NH3+]C(CO)Cc1cnc[nH]1 -2.41 C00860 cpd00641
cpd00155_c0 Glycogen C24H42O21 1 BYSGBSNPRWKUQH-UJDJLXLFSA-N OCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O -693.72 C00182 cpd00155
cpd00119_e0 L-Histidine C6H9N3O2 1 HNDVDQJCIGZPNO-YFKPBYRVSA-N NC(Cc1cnc[nH]1)C(=O)O -45.63 C00135 cpd00119
cpd00119_c0 L-Histidine C6H9N3O2 1 HNDVDQJCIGZPNO-YFKPBYRVSA-N NC(Cc1cnc[nH]1)C(=O)O -45.63 C00135 cpd00119
cpd00347_m0 5-10-Methenyltetrahydrofolate C20H20N7O6 1 MEANFMOQMXYMCT-OLZOCXBDSA-M N=c1nc(O)c2c([nH]1)NCC1C[N+](c3ccc(C(O)=NC(CCC(=O)[O-])C(=O)[O-])cc3)=CN21 -97 C00445 cpd00347
cpd01982_c0 5-Phosphoribosylamine C5H12NO7P 1 SKCBPEVYGOQGJN-TXICZTDVSA-M NC1OC(COP(=O)([O-])O)C(O)C1O -358.87 C03090 cpd01982
cpd01620_c0 Precorrin 2 C42H41N4O16 1 OQIIYZQTTMKFAU-ZNLOQLQNSA-G CC1(CC(=O)O)C2=Cc3[nH]c(c(CCC(=O)[O-])c3CC(=O)[O-])Cc3[nH]c(c(CC(=O)[O-])c3CCC(=O)[O-])C=C3NC(=CC(=N2)C1CCC(=O)[O-])C(C)(CC(=O)[O-])C3CCC(=O)[O-] C02463 cpd01620
cpd00444_c0 CDPethanolamine C11H19N4O11P2 1 WVIMUEUQJFPNDK-PEBGCTIMSA-M N=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCCN)C(O)C2O)c([O-])n1 -536.39 C00570 cpd00444
cpd00061_m0 Phosphoenolpyruvate C3H3O6P 1 DTBNBXWJWCWCIK-UHFFFAOYSA-K C=C(OP(=O)([O-])[O-])C(=O)[O-] -316.08 C00074 cpd00061
cpd00155_e0 Glycogen C24H42O21 1 BYSGBSNPRWKUQH-UJDJLXLFSA-N OCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O -693.72 C00182 cpd00155
cpd22590_c0 3-(2-(acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione C20H16O9 1 DYJNRRXQVSJBAA-UHFFFAOYSA-N CC(=O)OCCC1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)OC1O -258.77 cpd22590
cpd00956_c0 1-(2-carboxyphenylamino)-1-deoxyribulose 5-phosphate C12H14NO9P 1 QKMBYNRMPRKVTO-MNOVXSKESA-K O=C([O-])c1ccccc1NCC(=O)C(O)C(O)COP(=O)([O-])[O-] -392.53 C01302 cpd00956
cpd11685_c0 Mannan C18H32O16 1 -535.24 C00464 cpd11685
cpd00443_c0 ABEE C7H6NO2 1 ALYNCZNDIQEVRV-UHFFFAOYSA-M Nc1ccc(C(=O)[O-])cc1 -48.99 C00568 cpd00443
cpd00121_e0 L-Inositol C6H12O6 1 CDAISMWEOUEBRE-GPIVLXJGSA-N OC1C(O)C(O)C(O)C(O)C1O -219.96 C00137 cpd00121
cpd00121_c0 L-Inositol C6H12O6 1 CDAISMWEOUEBRE-GPIVLXJGSA-N OC1C(O)C(O)C(O)C(O)C1O -219.96 C00137 cpd00121
cpd01260_c0 Lauroyl-CoA C33H55N7O17P3S 1 YMCXGHLSVALICC-GMHMEAMDSA-J CCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -769.63 C01832 cpd01260
cpd00858_c0 L-Glutamate5-semialdehyde C5H9NO3 1 KABXUUFDPUOJMW-BYPYZUCNSA-N NC(CCC=O)C(=O)O -111.43 C01165 cpd00858
cpd00279_c0 Acetoacetyl-CoA C25H37N7O18P3S 1 OJFDKHTZOUZBOS-CITAKDKDSA-J CC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -812.61 C00332 cpd00279
cpd00158_c0 CELB C12H22O11 1 GUBGYTABKSRVRQ-CUHNMECISA-N OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O -376.76 C00185 cpd00158
cpd00158_e0 CELB C12H22O11 1 GUBGYTABKSRVRQ-CUHNMECISA-N OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O -376.76 C00185 cpd00158
cpd00279_m0 Acetoacetyl-CoA C25H37N7O18P3S 1 OJFDKHTZOUZBOS-CITAKDKDSA-J CC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -812.61 C00332 cpd00279
M-pcpmme-c_c0 phosphatidyl-N-methylethanolamines * 1 cpd00000
cpd01881_c0 3-Indoleacetonitrile C10H8N2 1 DMCPFOBLJMLSNX-UHFFFAOYSA-N N#CCc1c[nH]c2ccccc12 68.77 C02938 cpd01881
cpd02894_c0 4-Amino-2-methyl-5-diphosphomethylpyrimidine C6H9N3O7P2 1 AGQJQCFEPUVXNK-UHFFFAOYSA-L Cc1ncc(COP(=O)(O)OP(=O)([O-])[O-])c(=N)[nH]1 -412.04 C04752 cpd02894
M-havn-c_c0 5-hydroxyaverantin * 1 cpd00000
cpd11488_c0 Acetoacetyl-ACP C4H5O2RS 1 C05744 cpd11488
cpd03279_c0 Deoxyinosine C10H12N4O4 1 VGONTNSXDCQUGY-RRKCRQDMSA-N OCC1OC(n2cnc3c(O)ncnc32)CC1O -49.05 C05512 cpd03279
cpd02069_c0 3-Phosphonooxypyruvate C3H3O7P 1 LFLUCDOSQPJJBE-UHFFFAOYSA-K O=C([O-])C(=O)COP(=O)([O-])[O-] -361.42 C03232 cpd02069
cpd00709_c0 beta D-Galactose C6H12O6 1 WQZGKKKJIJFFOK-FPRJBGLDSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00962 cpd00709
M-alagly-c_c0 L-gamma-glutamyl-L-alanine * 1 cpd00000
cpd00709_e0 beta D-Galactose C6H12O6 1 WQZGKKKJIJFFOK-FPRJBGLDSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00962 cpd00709
cpd11313_m0 hemeO C49H56FeN4O5 1 FISPASSVCDRERW-KVGORYHISA-J C=Cc1c(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)c(C)c5CCC(=O)[O-])c(CCC(=O)[O-])c4C)c(C)c3C(O)CCC=C(C)CCC=C(C)CCC=C(C)C.[Fe+2] C15672 cpd11313
cpd00193_c0 APS C10H12N5O10PS 1 IRLPACMLTUPBCL-KQYNXXCUSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OS(=O)(=O)[O-])C(O)C1O -367.85 C00224 cpd00193
M-pcace-c_c0 3,4-dihydroxybenzoate * 1 cpd00000
cpd00434_c0 4-Aminobutanal C4H10NO 1 DZQLQEYLEYWJIB-UHFFFAOYSA-O [NH3+]CCCC=O -31.79 C00555 cpd00434
cpd00022_c0 Acetyl-CoA C23H35N7O17P3S 1 ZSLZBFCDCINBPY-ZSJPKINUSA-J CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -785.83 C00024 cpd00022
cpd00493_c0 Pyridoxamine phosphate C8H13N2O5P 1 ZMJGSOSNSPKHNH-UHFFFAOYSA-M Cc1ncc(COP(=O)(O)O)c(CN)c1[O-] -244.68 C00647 cpd00493
cpd00022_m0 Acetyl-CoA C23H35N7O17P3S 1 ZSLZBFCDCINBPY-ZSJPKINUSA-J CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -785.83 C00024 cpd00022
cpd00800_c0 8-Amino-7-oxononanoate C9H17NO3 1 GUAHPAJOXVYFON-UHFFFAOYSA-N CC(N)C(=O)CCCCCC(=O)O -108.22 C01092 cpd00800
cpd00044_c0 3-phosphoadenylylsulfate C10H12N5O13P2S 1 GACDQMDRPRGCTN-KQYNXXCUSA-J Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OS(=O)(=O)[O-])C(OP(=O)([O-])[O-])C1O -580.35 C00053 cpd00044
cpd02065_m0 3-Hydroxy-L-kynurenine C10H12N2O4 1 VCKPUUFAIGNJHC-LURJTMIESA-N Nc1c(O)cccc1C(=O)CC(N)C(=O)O -116.42 C03227 cpd02065
cpd00094_c0 2-Oxobutyrate C4H5O3 1 TYEYBOSBBBHJIV-UHFFFAOYSA-M CCC(=O)C(=O)[O-] -111.07 C00109 cpd00094
cpd02431_c0 1-Pyrroline-5-carboxylate C5H6NO2 1 DWAKNKKXGALPNW-BYPYZUCNSA-M O=C([O-])C1CCC=N1 -59.27 C03912 cpd02431
cpd02522_m0 2-Aminoadipate 6-semialdehyde C6H11NO3 1 GFXYTQPNNXGICT-YFKPBYRVSA-N NC(CCCC=O)C(=O)O -109.81 C04076 cpd02522
cpd00481_m0 Isobutyryl-CoA C25H39N7O17P3S 1 AEWHYWSPVRZHCT-NDZSKPAWSA-J CC(C)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -784.4 C00630 cpd00481
cpd03606_c0 2-Oxo-3-hydroxy-4-phosphobutanoate C4H5O8P 1 MZJFVXDTNBHTKZ-UHFFFAOYSA-K O=C([O-])C(=O)C(O)COP(=O)([O-])[O-] -397.84 C06054 cpd03606
cpd02385_c0 2-Aminomuconate semialdehyde C6H7NO3 1 QCGTZPZKJPTAEP-REDYYMJGSA-N NC(=CC=CC=O)C(=O)O -73.57 C03824 cpd02385
cpd02441_c0 3-Dehydro-2-deoxy-D-gluconate C6H9O6 1 CNLFCQPCBQQMHK-XINAWCOVSA-M O=C([O-])CC(=O)C(O)C(O)CO -222.6 C03926 cpd02441
cpd00800_m0 8-Amino-7-oxononanoate C9H17NO3 1 GUAHPAJOXVYFON-UHFFFAOYSA-N CC(N)C(=O)CCCCCC(=O)O -108.22 C01092 cpd00800
cpd02431_m0 1-Pyrroline-5-carboxylate C5H6NO2 1 DWAKNKKXGALPNW-BYPYZUCNSA-M O=C([O-])C1CCC=N1 -59.27 C03912 cpd02431
cpd02065_c0 3-Hydroxy-L-kynurenine C10H12N2O4 1 VCKPUUFAIGNJHC-LURJTMIESA-N Nc1c(O)cccc1C(=O)CC(N)C(=O)O -116.42 C03227 cpd02065
M-cerb2c-c_c0 cerebrin 2 (comp. C) * 1 cpd00000
cpd03517_c0 Biotinyl-5-AMP C20H27N7O9PS 1 UTQCSTJVMLODHM-RHCAYAJFSA-M Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC(=O)CCCCC2SCC3N=C([O-])NC32)C(O)C1O -289.37 C05921 cpd03517
cpd00087_m0 Tetrahydrofolate C19H21N7O6 1 MSTNYGQPCMXVAQ-KIYNQFGBSA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2 -113.97 C00101 cpd00087
cpd01107_c0 Decanoate C10H19O2 1 GHVNFZFCNZKVNT-UHFFFAOYSA-M CCCCCCCCCC(=O)[O-] -73.79 C01571 cpd01107
cpd01915_m0 L-Palmitoylcarnitine C23H45NO4 1 XOMRRQXKHMYMOC-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C -80.6 C02990 cpd01915
cpd00841_c0 5-diphosphomevalonate C6H11O10P2 1 SIGQQUBJQXSAMW-ZCFIWIBFSA-K CC(O)(CCOP(=O)(O)OP(=O)([O-])[O-])CC(=O)[O-] -578.27 C01143 cpd00841
cpd00419_c0 PM C8H13N2O2 1 NHZMQXZHNVQTQA-UHFFFAOYSA-O Cc1ncc(CO)c(C[NH3+])c1O -32.18 C00534 cpd00419
M-d8rl-c_c0 6,7-dimethyl-8-(1-D-ribityl)lumazine * 1 cpd00000
cpd00087_c0 Tetrahydrofolate C19H21N7O6 1 MSTNYGQPCMXVAQ-KIYNQFGBSA-L N=c1nc([O-])c2c([nH]1)NCC(CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2 -113.97 C00101 cpd00087
cpd00094_m0 2-Oxobutyrate C4H5O3 1 TYEYBOSBBBHJIV-UHFFFAOYSA-M CCC(=O)C(=O)[O-] -111.07 C00109 cpd00094
cpd00322_c0 L-Isoleucine C6H13NO2 1 AGPKZVBTJJNPAG-WHFBIAKZSA-N CCC(C)C(N)C(=O)O -84.87 C00407 cpd00322
cpd00380_e0 Itaconate C5H4O4 1 LVHBHZANLOWSRM-UHFFFAOYSA-L C=C(CC(=O)[O-])C(=O)[O-] -143.56 C00490 cpd00380
cpd03414_c0 UroporphyrinogenI C40H36N4O16 1 QTTNOSKSLATGQB-UHFFFAOYSA-F O=C([O-])CCc1c2[nH]c(c1CC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])Cc1[nH]c(c(CC(=O)[O-])c1CCC(=O)[O-])C2 C05766 cpd03414
cpd00322_e0 L-Isoleucine C6H13NO2 1 AGPKZVBTJJNPAG-WHFBIAKZSA-N CCC(C)C(N)C(=O)O -84.87 C00407 cpd00322
cpd00062_c0 UTP C9H12N2O15P3 1 PGAVKCOVUIYSFO-XVFCMESISA-K O=c1nc([O-])ccn1C1OC(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])C(O)C1O -813.77 C00075 cpd00062
cpd02605_c0 2-isopropyl-3-oxosuccinate C7H8O5 1 HIIZAGQWABAMRR-UHFFFAOYSA-L CC(C)C(C(=O)[O-])C(=O)C(=O)[O-] -189.28 C04236 cpd02605
cpd00868_c0 p-hydroxyphenylpyruvate C9H7O4 1 KKADPXVIOXHVKN-UHFFFAOYSA-M O=C(O)C(=O)Cc1ccc([O-])cc1 -115.3 C01179 cpd00868
cpd01749_c0 N-Formylkynurenine C11H12N2O4 1 BYHJHXPTQMMKCA-UHFFFAOYSA-N NC(CC(=O)c1ccccc1N=CO)C(=O)O -113.18 C02700 cpd01749
cpd00322_m0 L-Isoleucine C6H13NO2 1 AGPKZVBTJJNPAG-WHFBIAKZSA-N CCC(C)C(N)C(=O)O -84.87 C00407 cpd00322
cpd01915_c0 L-Palmitoylcarnitine C23H45NO4 1 XOMRRQXKHMYMOC-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C -80.6 C02990 cpd01915
cpd01260_m0 Lauroyl-CoA C33H55N7O17P3S 1 YMCXGHLSVALICC-GMHMEAMDSA-J CCCCCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -769.63 C01832 cpd01260
cpd11468_c0 Dodecanoyl-ACP C12H23ORS 1 C05223 cpd11468
cpd00782_c0 Pimeloyl-CoA C28H42N7O19P3S 1 LYCRXMTYUZDUGA-AMIBDLERSA-I CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-])C(O)C([O-])=NCCC([O-])=NCCSC(=O)CCCCCC(=O)[O-] -857.18 C01063 cpd00782
cpd02605_m0 2-isopropyl-3-oxosuccinate C7H8O5 1 HIIZAGQWABAMRR-UHFFFAOYSA-L CC(C)C(C(=O)[O-])C(=O)C(=O)[O-] -189.28 C04236 cpd02605
cpd00380_c0 Itaconate C5H4O4 1 LVHBHZANLOWSRM-UHFFFAOYSA-L C=C(CC(=O)[O-])C(=O)[O-] -143.56 C00490 cpd00380
cpd01720_c0 3-Ureidopropanoate C4H7N2O3 1 JSJWCHRYRHKBBW-UHFFFAOYSA-M N=C(O)NCCC(=O)[O-] -124.32 C02642 cpd01720
cpd00599_e0 SALC C7H5O3 1 YGSDEFSMJLZEOE-UHFFFAOYSA-M O=C(O)c1ccccc1[O-] -92.53 C00805 cpd00599
cpd00599_c0 SALC C7H5O3 1 YGSDEFSMJLZEOE-UHFFFAOYSA-M O=C(O)c1ccccc1[O-] -92.53 C00805 cpd00599
M-ffa-c_c0 free faty acid * 1 cpd00000
cpd02979_c0 phosphoribosylformiminoaicar-phosphate C15H23N5O15P2 1 QOUSHGMTBIIAHR-KEOHHSTQSA-J NC(=O)c1ncn(C2OC(COP(=O)([O-])[O-])C(O)C2O)c1N=CNC1OC(COP(=O)([O-])[O-])C(O)C1O -651.87 C04896 cpd02979
cpd03480_m0 2-Hydroxyphenylacetate C8H7O3 1 CCVYRRGZDBSHFU-UHFFFAOYSA-M O=C(O)Cc1ccccc1[O-] -89.36 C05852 cpd03480
cpd00201_m0 10-Formyltetrahydrofolate C20H21N7O7 1 AUFGTPPARQZWDO-YUZLPWPTSA-L N=c1nc([O-])c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2 -144.77 C00234 cpd00201
cpd00201_c0 10-Formyltetrahydrofolate C20H21N7O7 1 AUFGTPPARQZWDO-YUZLPWPTSA-L N=c1nc([O-])c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1)N2 -144.77 C00234 cpd00201
M-ffa-m_m0 free faty acid * 1 cpd00000
M-c4dcoa-m_m0 trans-but-2-enoyl-CoA * 1 cpd00000
cpd00185_e0 D-Arabinose C5H10O5 1 SRBFZHDQGSBBOR-ZRMNMSDTSA-N OC1COC(O)C(O)C1O -180.06 C00216 cpd00185
cpd00345_m0 5-Methyltetrahydrofolate C20H23N7O6 1 ZNOVTXRBGFNYRX-UHFFFAOYSA-L CN1c2c([O-])nc(=N)[nH]c2NCC1CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1 -101.7 C00440 cpd00345
cpd00185_c0 D-Arabinose C5H10O5 1 SRBFZHDQGSBBOR-ZRMNMSDTSA-N OC1COC(O)C(O)C1O -180.06 C00216 cpd00185
M-cerb1d-c_c0 cerebrin 1 (comp. D) * 1 cpd00000
cpd00064_c0 Ornithine C5H13N2O2 1 AHLPHDHHMVZTML-BYPYZUCNSA-O NC(CCC[NH3+])C(=O)O -85.66 C00077 cpd00064
cpd11493_c0 ACP HRS 1 C00229 cpd11493
cpd00507_m0 Glycerophosphocholine C8H20NO6P 1 SUHOQUVVVLNYQR-MRVPVSSYSA-N C[N+](C)(C)CCOP(=O)([O-])OCC(O)CO -254.99 C00670 cpd00507
cpd00507_e0 Glycerophosphocholine C8H20NO6P 1 SUHOQUVVVLNYQR-MRVPVSSYSA-N C[N+](C)(C)CCOP(=O)([O-])OCC(O)CO -254.99 C00670 cpd00507
M-c141car-c_c0 c141-carnitine * 1 cpd00000
cpd03129_m0 (2E)-Decenoyl-CoA C31H49N7O17P3S 1 MGNBGCRQQFMNBM-YJHHLLFWSA-J CCCCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -752.06 C05275 cpd03129
cpd00064_m0 Ornithine C5H13N2O2 1 AHLPHDHHMVZTML-BYPYZUCNSA-O NC(CCC[NH3+])C(=O)O -85.66 C00077 cpd00064
M-c180car-m_m0 stearoyl-carnitine * 1 cpd00000
M-c162-c_c0 hexadecadienoate * 1 cpd00000
cpd00507_c0 Glycerophosphocholine C8H20NO6P 1 SUHOQUVVVLNYQR-MRVPVSSYSA-N C[N+](C)(C)CCOP(=O)([O-])OCC(O)CO -254.99 C00670 cpd00507
cpd00183_m0 Sarcosine C3H7NO2 1 FSYKKLYZXJSNPZ-UHFFFAOYSA-N CNCC(=O)O -79.18 C00213 cpd00183
cpd01501_m0 2-Methylcitrate C7H7O7 1 YNOXCRMFGMSKIJ-WVBDSBKLSA-K CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-] -280.63 C02225 cpd01501
cpd00051_e0 L-Arginine C6H15N4O2 1 ODKSFYDXXFIFQN-BYPYZUCNSA-O N=C(N)NCCCC([NH3+])C(=O)O -73.77 C00062 cpd00051
cpd00051_c0 L-Arginine C6H15N4O2 1 ODKSFYDXXFIFQN-BYPYZUCNSA-O N=C(N)NCCCC([NH3+])C(=O)O -73.77 C00062 cpd00051
M-c180car-c_c0 stearoyl-carnitine * 1 cpd00000
M-msali-e_c0 generated msali_e * 1 cpd00000
cpd03471_c0 Nicotinate D-ribonucleoside C11H13NO6 1 PUEDDPCUCPRQNY-ZYUZMQFOSA-N O=C([O-])c1ccc[n+](C2OC(CO)C(O)C2O)c1 -167.68 C05841 cpd03471
cpd00760_m0 2-Methylbutyryl-CoA C26H41N7O17P3S 1 LYNVNYDEQMMNMZ-UHFFFAOYSA-J CCC(C)C(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -782.78 C01033 cpd00760
cpd00051_m0 L-Arginine C6H15N4O2 1 ODKSFYDXXFIFQN-BYPYZUCNSA-O N=C(N)NCCCC([NH3+])C(=O)O -73.77 C00062 cpd00051
cpd01728_c0 6-Methylsalicylate C8H7O3 1 HCJMNOSIAGSZBM-UHFFFAOYSA-M Cc1cccc([O-])c1C(=O)O -94.16 C02657 cpd01728
cpd00300_e0 Urate C5H4N4O3 1 LEHOTFFKMJEONL-UHFFFAOYSA-N Oc1nc(O)c2nc(O)[nH]c2n1 -90.93 C00366 cpd00300
cpd15298_c0 tetradecenoate C14H25O2 1 -45.61 cpd15298
cpd00300_c0 Urate C5H4N4O3 1 LEHOTFFKMJEONL-UHFFFAOYSA-N Oc1nc(O)c2nc(O)[nH]c2n1 -90.93 C00366 cpd00300
cpd00168_c0 2,3-Dihydroxybenzoate C7H5O4 1 GLDQAMYCGOIJDV-UHFFFAOYSA-M O=C(O)c1cccc([O-])c1O -132.01 C00196 cpd00168
cpd02636_c0 4-Methyl-5--2-hydroxyethyl-thiazole C6H9NOS 1 BKAWJIRCKVUVED-UHFFFAOYSA-N Cc1ncsc1CCO -7.11 C04294 cpd02636
cpd11825_c0 Octadecenoyl-ACP C18H33ORS 1 C01203 cpd11825
cpd11485_c0 3-oxohexadecanoyl-acp C16H29O2RS 1 C05762 cpd11485
M-dgeod-c_c0 dihydrogeodin * 1 cpd00000
cpd08377_c0 Inositol 1,4,5,6-tetrakisphosphate C6H12O18P4 1 MRVYFOANPDTYBY-YORTWTKJSA-F O=P([O-])([O-])OC1C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-] -1069.96 C11555 cpd08377
cpd00342_m0 N-Acetylornithine C7H14N2O3 1 JRLGPAXAGHMNOL-LURJTMIESA-N CC(O)=NC(CCCN)C(=O)O -115.26 C00437 cpd00342
M-chito-e_e0 chitin * 1 cpd00000
cpd11423_e0 1,2-Diacyl-sn-glycerol C5H6O5R2 1 C00165 cpd11423
cpd00378_c0 Formamide CH3NO 1 ZHNUHDYFZUAESO-UHFFFAOYSA-N N=CO -28.36 C00488 cpd00378
cpd11423_c0 1,2-Diacyl-sn-glycerol C5H6O5R2 1 C00165 cpd11423
cpd00161_c0 L-Threonine C4H9NO3 1 AYFVYJQAPQTCCC-GBXIJSLDSA-N CC(O)C(N)C(=O)O -124.34 C00188 cpd00161
cpd00706_c0 Mercaptopyruvate C3H3O3S 1 OJOLFAIGOXZBCI-UHFFFAOYSA-M O=C([O-])C(=O)CS -108.164 C00957 cpd00706
cpd00014_c0 UDP C9H12N2O12P2 1 XCCTYIAWTASOJW-XVFCMESISA-L O=c1nc([O-])ccn1C1OC(COP(=O)(O)OP(=O)([O-])O)C(O)C1O -605.77 C00015 cpd00014
cpd00161_e0 L-Threonine C4H9NO3 1 AYFVYJQAPQTCCC-GBXIJSLDSA-N CC(O)C(N)C(=O)O -124.34 C00188 cpd00161
cpd19399_c0 Monolysocardiolipin C12H17O16P2R3 1 C18129 cpd19399
cpd00161_m0 L-Threonine C4H9NO3 1 AYFVYJQAPQTCCC-GBXIJSLDSA-N CC(O)C(N)C(=O)O -124.34 C00188 cpd00161
cpd01015_e0 Cyanate CNO 1 XLJMAIOERFSOGZ-UHFFFAOYSA-M N#C[O-] -23.3 C01417 cpd01015
cpd19399_m0 Monolysocardiolipin C12H17O16P2R3 1 C18129 cpd19399
cpd00355_c0 Nicotinamide ribonucleotide C11H15N2O8P 1 DAYLJWODMCOQEW-TURQNECASA-M N=C([O-])c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1 -337.74 C00455 cpd00355
cpd00125_m0 5-10-Methylenetetrahydrofolate C20H21N7O6 1 QYNUQALWYRSVHF-OLZOCXBDSA-L N=c1nc([O-])c2c([nH]1)NCC1CN(c3ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc3)CN21 -93.65 C00143 cpd00125
cpd00957_c0 2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone C9H15N5O8P 1 OCLCLRXKNJCOJD-UMMCILCDSA-L N=c1nc([O-])c(N)c(NC2OC(COP(=O)([O-])O)C(O)C2O)[nH]1 -338.54 C01304 cpd00957
cpd03130_m0 (2E)-Octenoyl-CoA C29H45N7O17P3S 1 CPSDNAXXKWVYIY-NTLMCJQISA-J CCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -755.3 C05276 cpd03130
cpd00241_c0 dGTP C10H13N5O13P3 1 HAAZLUGHYHWQIW-KVQBGUIXSA-K N=c1nc([O-])c2ncn(C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O3)c2[nH]1 -684.46 C00286 cpd00241
cpd00229_c0 Glycolaldehyde C2H4O2 1 WGCNASOHLSPBMP-UHFFFAOYSA-N O=CCO -70.28 C00266 cpd00229
cpd00345_c0 5-Methyltetrahydrofolate C20H23N7O6 1 ZNOVTXRBGFNYRX-UHFFFAOYSA-L CN1c2c([O-])nc(=N)[nH]c2NCC1CNc1ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc1 -101.7 C00440 cpd00345
cpd00024_c0 2-Oxoglutarate C5H4O5 1 KPGXRSRHYNQIFN-UHFFFAOYSA-L O=C([O-])CCC(=O)C(=O)[O-] -188.9 C00026 cpd00024
cpd22582_c0 hexanoyl-1,3,6,8-tetrahydroxy-anthraquinone C20H17O7 1 XIJDBHLQUYAZJI-UHFFFAOYSA-M CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O -174.2 cpd22582
M-aura-c_c0 5-amino-6-(D-ribitylamino)uracil * 1 cpd00000
cpd00957_m0 2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone C9H15N5O8P 1 OCLCLRXKNJCOJD-UMMCILCDSA-L N=c1nc([O-])c(N)c(NC2OC(COP(=O)([O-])O)C(O)C2O)[nH]1 -338.54 C01304 cpd00957
cpd00024_e0 2-Oxoglutarate C5H4O5 1 KPGXRSRHYNQIFN-UHFFFAOYSA-L O=C([O-])CCC(=O)C(=O)[O-] -188.9 C00026 cpd00024
M-c162acp-c_c0 hexadecadienoyl-[acp] * 1 cpd00000
cpd11722_m0 trans-2-Enoyl-CoA C24H34N7O17P3RS 1 C00658 cpd11722
M-dg6p-c_c0 alpha-D-glucose 6-phosphate * 1 cpd00000
cpd00024_m0 2-Oxoglutarate C5H4O5 1 KPGXRSRHYNQIFN-UHFFFAOYSA-L O=C([O-])CCC(=O)C(=O)[O-] -188.9 C00026 cpd00024
cpd00125_c0 5-10-Methylenetetrahydrofolate C20H21N7O6 1 QYNUQALWYRSVHF-OLZOCXBDSA-L N=c1nc([O-])c2c([nH]1)NCC1CN(c3ccc(C(=O)NC(CCC(=O)[O-])C(=O)O)cc3)CN21 -93.65 C00143 cpd00125
cpd00142_m0 Acetoacetate C4H5O3 1 WDJHALXBUFZDSR-UHFFFAOYSA-M CC(=O)CC(=O)[O-] -113.53 C00164 cpd00142
cpd00837_c0 S-Adenosylmethioninamine C14H24N6O3S 1 ZUNBITIXDCPNSD-LSRJEVITSA-O C[S+](CCC[NH3+])CC1OC(n2cnc3c(N)ncnc32)C(O)C1O 13.01 C01137 cpd00837
cpd11791_e0 1,3-beta-Glucan C6H10O52 1 C00965 cpd11791
cpd00557_c0 Siroheme C42H36FeN4O16 1 DLKSSIHHLYNIKN-QIISWYHFSA-D CC1(CC(=O)[O-])c2cc3nc(cc4[n-]c(cc5[n-]c(cc(n2)C1CCC(=O)[O-])c(CC(=O)[O-])c5CCC(=O)[O-])c(CCC(=O)[O-])c4CC(=O)[O-])C(C)(CC(=O)[O-])C3CCC(=O)[O-].[Fe+2] C00748 cpd00557
cpd11791_c0 1,3-beta-Glucan C6H10O52 1 C00965 cpd11791
cpd00557_e0 Siroheme C42H36FeN4O16 1 DLKSSIHHLYNIKN-QIISWYHFSA-D CC1(CC(=O)[O-])c2cc3nc(cc4[n-]c(cc5[n-]c(cc(n2)C1CCC(=O)[O-])c(CC(=O)[O-])c5CCC(=O)[O-])c(CCC(=O)[O-])c4CC(=O)[O-])C(C)(CC(=O)[O-])C3CCC(=O)[O-].[Fe+2] C00748 cpd00557
cpd00105_c0 D-Ribose C5H10O5 1 HMFHBZSHGGEWLO-AIHAYLRMSA-N OCC1OC(O)C(O)C1O -181.62 C00121 cpd00105
cpd00026_c0 UDP-glucose C15H22N2O17P2 1 HSCJRCZFDFQWRP-JZMIEXBBSA-L O=c1nc([O-])ccn1C1OC(COP(=O)([O-])OP(=O)(O)OC2OC(CO)C(O)C(O)C2O)C(O)C1O -762.55 C00029 cpd00026
cpd00105_e0 D-Ribose C5H10O5 1 HMFHBZSHGGEWLO-AIHAYLRMSA-N OCC1OC(O)C(O)C1O -181.62 C00121 cpd00105
cpd00100_c0 Glycerol C3H8O3 1 PEDCQBHIVMGVHV-UHFFFAOYSA-N OCC(O)CO -116.18 C00116 cpd00100
cpd00324_c0 MTTL CH4S 1 LSDPWZHWYPCBBB-UHFFFAOYSA-N CS -4.394 C00409 cpd00324
cpd00142_c0 Acetoacetate C4H5O3 1 WDJHALXBUFZDSR-UHFFFAOYSA-M CC(=O)CC(=O)[O-] -113.53 C00164 cpd00142
cpd00100_e0 Glycerol C3H8O3 1 PEDCQBHIVMGVHV-UHFFFAOYSA-N OCC(O)CO -116.18 C00116 cpd00100
cpd12785_m0 4-Hydroxy-3-polyprenylbenzoate C17H21O3 1 HKIMBCGCVPYUTJ-NTUHNPAUSA-M CC(C)=CCCC(C)=CCc1cc(C(=O)O)ccc1[O-] -39.6 C05848 cpd12785
M-c183car-m_m0 octadecatrienoyl-carnitine * 1 cpd00000
cpd00343_c0 N-Carbamoyl-L-aspartate C5H6N2O5 1 HLKXYZVTANABHZ-REOHCLBHSA-L N=C(O)NC(CC(=O)[O-])C(=O)[O-] -203.96 C00438 cpd00343
cpd01795_c0 2-Deoxy-D-gluconate C6H11O6 1 PALQXFMLVVWXFD-KODRXGBYSA-M O=C([O-])CC(O)C(O)C(O)CO -230.62 C02782 cpd01795
cpd01977_c0 4-Phospho-L-aspartate C4H7NO7P 1 IXZNKTPIYKDIGG-REOHCLBHSA-L NC(CC(=O)OP(=O)([O-])O)C(=O)[O-] -380.65 C03082 cpd01977
cpd00894_c0 2-Dehydro-3-deoxy-D-galactonate C6H9O6 1 WPAMZTWLKIDIOP-NQXXGFSBSA-M O=C([O-])C(=O)CC(O)C(O)CO -220.14 C01216 cpd00894
cpd03416_c0 CoproporphyrinogenI C36H40N4O8 1 WIUGGJKHYQIGNH-UHFFFAOYSA-J Cc1c2[nH]c(c1CCC(=O)[O-])Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(CCC(=O)[O-])c1C)Cc1[nH]c(c(CCC(=O)[O-])c1C)C2 C05768 cpd03416
cpd02140_c0 AIR C8H14N3O7P 1 PDACUKOKVHBVHJ-XVFCMESISA-M Nc1cncn1C1OC(COP(=O)([O-])O)C(O)C1O -297.44 C03373 cpd02140
cpd00052_m0 CTP C9H13N3O14P3 1 PCDQPRRSZKQHHS-XVFCMESISA-K N=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])C(O)C2O)c([O-])n1 -761.38 C00063 cpd00052
cpd00086_c0 Propionyl-CoA C24H37N7O17P3S 1 QAQREVBBADEHPA-IEXPHMLFSA-J CCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -784.21 C00100 cpd00086
cpd03034_c0 3-Ureidoisobutyrate C5H9N2O3 1 PHENTZNALBMCQD-UHFFFAOYSA-M CC(CNC(=N)O)C(=O)[O-] -124.51 C05100 cpd03034
cpd00295_c0 dGDP C10H13N5O10P2 1 CIKGWCTVFSRMJU-KVQBGUIXSA-L N=c1nc([O-])c2ncn(C3CC(O)C(COP(=O)(O)OP(=O)([O-])O)O3)c2[nH]1 -476.46 C00361 cpd00295
cpd00052_c0 CTP C9H13N3O14P3 1 PCDQPRRSZKQHHS-XVFCMESISA-K N=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])C(O)C2O)c([O-])n1 -761.38 C00063 cpd00052
cpd11830_m0 S-Aminomethyldihydrolipoylprotein C9H20N2ORS2 1 C01242 cpd11830
cpd00275_m0 L-Kynurenine C10H12N2O3 1 YGPSJZOEDVAXAB-QMMMGPOBSA-N Nc1ccccc1C(=O)CC(N)C(=O)O -76.94 C00328 cpd00275
cpd01188_c0 Lanosterol C30H50O 1 CAHGCLMLTWQZNJ-BMJQUABISA-N CC(C)=CCCC(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3 32.74 C01724 cpd01188
cpd00296_c0 dGMP C10H13N5O7P 1 LTFMZDNNPPEQNG-KVQBGUIXSA-L N=c1nc([O-])c2ncn(C3CC(O)C(COP(=O)([O-])O)O3)c2[nH]1 -268.46 C00362 cpd00296
cpd00086_m0 Propionyl-CoA C24H37N7O17P3S 1 QAQREVBBADEHPA-IEXPHMLFSA-J CCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -784.21 C00100 cpd00086
cpd00169_c0 3-Phosphoglycerate C3H5O7P 1 OSJPPGNTCRNQQC-UWTATZPHSA-K O=C([O-])C(O)COP(=O)([O-])[O-] -371.9 C00197 cpd00169
cpd00338_m0 5-Aminolevulinate C5H9NO3 1 ZGXJTSGNIOSYLO-UHFFFAOYSA-N NCC(=O)CCC(=O)O -112.89 C00430 cpd00338
cpd16552_c0 Aflatoxin G1 C19H16O7 1 KLZIFULTAZMNEK-RBUKOAKNSA-N COc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1(C)C=COC1(C)O2 -169.41 C16755 cpd16552
cpd00275_c0 L-Kynurenine C10H12N2O3 1 YGPSJZOEDVAXAB-QMMMGPOBSA-N Nc1ccccc1C(=O)CC(N)C(=O)O -76.94 C00328 cpd00275
cpd00129_c0 L-Proline C5H8NO2 1 ONIBWKKTOPOVIA-BYPYZUCNSA-N O=C(O)C1CCCN1 -62.54 C00148 cpd00129
M-c141car-m_m0 c141-carnitine * 1 cpd00000
cpd01879_c0 3-Dehydrosphinganine C18H38NO2 1 KBUNOSOGGAARKZ-KRWDZBQOSA-O CCCCCCCCCCCCCCCC(=O)C([NH3+])CO -50.42 C02934 cpd01879
cpd00475_c0 Ribose 1-phosphate C5H10O8P 1 YXJDFQJKERBOBM-TXICZTDVSA-L O=P([O-])([O-])OC1OC(CO)C(O)C1O -394.12 C00620 cpd00475
M-dhmva-m_m0 (R)-2,3-dihydroxy-3-methylbutanoate * 1 cpd00000
cpd14937_m0 (2E)-Octadecenoyl-CoA C39H65N7O17P3S 1 NBCCUIHOHUKBMK-ZDDAFBBHSA-J CCCCCCCCCCCCCCCC=CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -739.1 C16218 cpd14937
cpd11467_c0 (2E)-Tetradecenoyl-[acp] C14H25ORS 1 C05760 cpd11467
cpd11628_c0 Acyl-[acyl-carrier protein] C3H4OR2S 1 C00173 cpd11628
cpd03721_e0 Cellotriose C18H32O16 1 FYGDTMLNYKFZSV-CSHPIKHBSA-N OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O -535.24 C06219 cpd03721
cpd00297_c0 dTDP C10H14N2O11P2 1 UJLXYODCHAELLY-XLPZGREQSA-L Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)([O-])O)O2)c(=O)nc1[O-] -566.34 C00363 cpd00297
cpd00456_c0 3-Hydroxybenzoate C7H5O3 1 IJFXRHURBJZNAO-UHFFFAOYSA-M O=C(O)c1cccc([O-])c1 -92.53 C00587 cpd00456
cpd00873_c0 Nicotinate ribonucleotide C11H13NO9P 1 JOUIQRNQJGXQDC-ZYUZMQFOSA-L O=C([O-])c1ccc[n+](C2OC(COP(=O)([O-])[O-])C(O)C2O)c1 -380.18 C01185 cpd00873
cpd01476_m0 Protoporphyrin C34H32N4O4 1 KSFOVUSSGSKXFI-UJJXFSCMSA-L C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)[O-])c(CCC(=O)[O-])c4C)c(C)c3C=C C02191 cpd01476
cpd00259_c0 D-Lyxulose C5H10O5 1 ZAQJHHRNXZUBTE-WUJLRWPWSA-N O=C(CO)C(O)C(O)CO -181 C00310 cpd00259
cpd00259_e0 D-Lyxulose C5H10O5 1 ZAQJHHRNXZUBTE-WUJLRWPWSA-N O=C(CO)C(O)C(O)CO -181 C00310 cpd00259
cpd03121_m0 3-Oxooctanoyl-CoA C29H45N7O18P3S 1 WPIVBCGRGVNDDT-CECATXLMSA-J CCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -806.13 C05267 cpd03121
cpd00206_c0 dCMP C9H13N3O7P 1 NCMVOABPESMRCP-SHYZEUOFSA-L N=c1ccn(C2CC(O)C(COP(=O)([O-])O)O2)c([O-])n1 -305.54 C00239 cpd00206
cpd00697_c0 cGMP C10H11N5O7P 1 ZOOGRGPOEVQQDX-UUOKFMHZSA-M N=c1nc([O-])c2ncn(C3OC4COP(=O)(O)OC4C3O)c2[nH]1 -242.32 C00942 cpd00697
cpd00164_c0 Glucuronate C6H9O7 1 IAJILQKETJEXLJ-QTBDOELSSA-M O=CC(O)C(O)C(O)C(O)C(=O)[O-] -259.18 C00191 cpd00164
cpd12811_e0 D-Glucosaminide C18H38N3O13 1 RQFQJYYMBWVMQG-IXDPLRRUSA-Q [NH3+]C1C(OC2C(CO)OC(OC3C(CO)OC(O)C([NH3+])C3O)C([NH3+])C2O)OC(CO)C(O)C1O -429.49 C06023 cpd12811
cpd02857_c0 DAHP C7H11O10P 1 PJWIPEXIFFQAQZ-PUFIMZNGSA-K O=C([O-])C(=O)CC(O)C(O)C(O)COP(=O)([O-])[O-] -469.06 C04691 cpd02857
cpd11475_c0 (2E)-Decenoyl-[acp] C10H17ORS 1 C05754 cpd11475
cpd01914_c0 L-Methionine S-oxide C5H11NO3S 1 QEFRNWWLZKMPFJ-UHFFFAOYSA-N CS(=O)CCC(N)C(=O)O C02989 cpd01914
cpd00417_c0 L-Lyxitol C5H12O5 1 HEBKCHPVOIAQTA-IMJSIDKUSA-N OCC(O)C(O)C(O)CO -189.02 C00532 cpd00417
cpd00081_c0 Sulfite HO3S 1 LSNNMFCWUKXFEE-UHFFFAOYSA-M O=S([O-])O -126.15 C00094 cpd00081
cpd00281_c0 GABA C4H9NO2 1 BTCSSZJGUNDROE-UHFFFAOYSA-N NCCCC(=O)O -84.49 C00334 cpd00281
cpd00081_e0 Sulfite HO3S 1 LSNNMFCWUKXFEE-UHFFFAOYSA-M O=S([O-])O -126.15 C00094 cpd00081
cpd00214_c0 Palmitate C16H31O2 1 IPCSVZSSVZVIGE-UHFFFAOYSA-M CCCCCCCCCCCCCCCC(=O)[O-] -64.07 C00249 cpd00214
M-c183car-c_c0 octadecatrienoyl-carnitine * 1 cpd00000
cpd00154_e0 Xylose C5H10O5 1 SRBFZHDQGSBBOR-LECHCGJUSA-N OC1COC(O)C(O)C1O -180.06 C00181 cpd00154
cpd00116_m0 Methanol CH4O 1 OKKJLVBELUTLKV-UHFFFAOYSA-N CO -41.9 C00132 cpd00116
cpd00491_c0 D-mannitol-1-phosphate C6H14O9P 1 GACTWZZMVMUKNG-SLPGGIOYSA-L O=P([O-])([O-])OCC(O)C(O)C(O)C(O)CO -437.94 C00644 cpd00491
cpd00268_c0 H2S2O3 O3S2 1 DHCDFWKWKRSZHF-UHFFFAOYSA-M O=S([O-])(O)=S -122.7 C00320 cpd00268
cpd00281_e0 GABA C4H9NO2 1 BTCSSZJGUNDROE-UHFFFAOYSA-N NCCCC(=O)O -84.49 C00334 cpd00281
cpd00154_c0 Xylose C5H10O5 1 SRBFZHDQGSBBOR-LECHCGJUSA-N OC1COC(O)C(O)C1O -180.06 C00181 cpd00154
cpd00063_e0 Ca2+ Ca 1 BHPQYMZQTOCNFJ-UHFFFAOYSA-N [Ca+2] C00076 cpd00063
cpd00129_m0 L-Proline C5H8NO2 1 ONIBWKKTOPOVIA-BYPYZUCNSA-N O=C(O)C1CCCN1 -62.54 C00148 cpd00129
cpd00063_c0 Ca2+ Ca 1 BHPQYMZQTOCNFJ-UHFFFAOYSA-N [Ca+2] C00076 cpd00063
cpd00116_e0 Methanol CH4O 1 OKKJLVBELUTLKV-UHFFFAOYSA-N CO -41.9 C00132 cpd00116
cpd00281_m0 GABA C4H9NO2 1 BTCSSZJGUNDROE-UHFFFAOYSA-N NCCCC(=O)O -84.49 C00334 cpd00281
cpd00050_e0 FMN C17H20N4O9P 1 ANKZYBDXHMZBDK-SCRDCRAPSA-K Cc1cc2nc3c([O-])nc(=O)[nH]c3[n+](CC(O)C(O)C(O)COP(=O)([O-])[O-])c2cc1C -323.22 C00061 cpd00050
cpd00129_e0 L-Proline C5H8NO2 1 ONIBWKKTOPOVIA-BYPYZUCNSA-N O=C(O)C1CCCN1 -62.54 C00148 cpd00129
cpd00050_c0 FMN C17H20N4O9P 1 ANKZYBDXHMZBDK-SCRDCRAPSA-K Cc1cc2nc3c([O-])nc(=O)[nH]c3[n+](CC(O)C(O)C(O)COP(=O)([O-])[O-])c2cc1C -323.22 C00061 cpd00050
cpd00116_c0 Methanol CH4O 1 OKKJLVBELUTLKV-UHFFFAOYSA-N CO -41.9 C00132 cpd00116
cpd00515_c0 5-Dehydro-4-deoxy-D-glucarate C6H6O7 1 QUURPCHWPQNNGL-ZAFYKAAXSA-L O=C([O-])C(=O)CC(O)C(O)C(=O)[O-] -263.36 C00679 cpd00515
cpd01092_e0 Allantoin C4H6N4O3 1 POJWUDADGALRAB-UHFFFAOYSA-N N=C(O)NC1N=C(O)N=C1O -116.06 C01551 cpd01092
cpd00399_c0 Oleoyl-CoA C39H65N7O17P3S 1 XDUHQPOXLUAVEE-BPMMELMSSA-J CCCCCCCCC=CCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -737.55 C00510 cpd00399
cpd00533_c0 dCDP C9H13N3O10P2 1 FTDHDKPUHBLBTL-SHYZEUOFSA-L N=c1ccn(C2CC(O)C(COP(=O)(O)OP(=O)([O-])O)O2)c([O-])n1 -513.54 C00705 cpd00533
cpd02893_c0 5'-Phosphoribosyl-4-carboxy-5-aminoimidazole C9H13N3O9P 1 XFVULMDJZXYMSG-ZIYNGMLESA-L Nc1c(C(=O)[O-])ncn1C1OC(COP(=O)([O-])O)C(O)C1O -378.85 C04751 cpd02893
cpd00095_m0 Glycerone-phosphate C3H6O6P 1 GNGACRATGGDKBX-UHFFFAOYSA-L O=C(CO)COP(=O)([O-])[O-] -320.66 C00111 cpd00095
cpd11732_e0 Xylan C10H15O8R*4 1 C00707 cpd11732
cpd00763_c0 4-Maleylacetoacetate C8H6O6 1 GACSIVHAIFQKTC-UPHRSURJSA-L O=C([O-])C=CC(=O)CC(=O)CC(=O)[O-] -197.26 C01036 cpd00763
cpd11732_c0 Xylan C10H15O8R*4 1 C00707 cpd11732
cpd03114_m0 3-Oxopalmitoyl-CoA C37H61N7O18P3S 1 NQMPLXPCRJOSHL-BBECNAHFSA-J CCCCCCCCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -793.17 C05259 cpd03114
cpd00399_m0 Oleoyl-CoA C39H65N7O17P3S 1 XDUHQPOXLUAVEE-BPMMELMSSA-J CCCCCCCCC=CCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -737.55 C00510 cpd00399
cpd00153_c0 Benzoate C7H5O2 1 WPYMKLBDIGXBTP-UHFFFAOYSA-M O=C([O-])c1ccccc1 -53.05 C00180 cpd00153
cpd02921_c0 SAICAR C13H16N4O12P 1 NAQGHJTUZRHGAC-LBGUGVGYSA-J Nc1c(C([O-])=NC(CC(=O)[O-])C(=O)[O-])ncn1C1OC(COP(=O)([O-])O)C(O)C1O -487.65 C04811 cpd02921
cpd03449_m0 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C48H72O4 1 JCTZZCUQMAEFJG-WDXILIIOSA-N COC1=C(O)C(=O)C(C)=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O 127.85 C05815 cpd03449
cpd03161_c0 Phenethylamine C8H12N 1 BHHGXPLMPWCGHP-UHFFFAOYSA-O [NH3+]CCc1ccccc1 28.59 C05332 cpd03161
M-c181car-c_c0 octadecenoyl-carnitine * 1 cpd00000
cpd12225_m0 Dihydrolipolprotein C8H16NORS2 1 C02972 cpd12225
cpd00115_c0 dATP C10H13N5O12P3 1 SUYVUBYJARFZHO-RRKCRQDMSA-K Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])O1 -634.01 C00131 cpd00115
cpd00153_m0 Benzoate C7H5O2 1 WPYMKLBDIGXBTP-UHFFFAOYSA-M O=C([O-])c1ccccc1 -53.05 C00180 cpd00153
cpd00110_m0 Cytochrome c2+ C42H42FeN8O8R4S2 1 C00126 cpd00110
cpd00214_e0 Palmitate C16H31O2 1 IPCSVZSSVZVIGE-UHFFFAOYSA-M CCCCCCCCCCCCCCCC(=O)[O-] -64.07 C00249 cpd00214
cpd00822_c0 O-Succinyl-L-homoserine C8H12NO6 1 GNISQJGXJIDKDJ-YFKPBYRVSA-M NC(CCOC(=O)CCC(=O)[O-])C(=O)O -236.19 C01118 cpd00822
cpd00256_m0 CDPcholine C14H25N4O11P2 1 RZZPDXZPRHQOCG-OJAKKHQRSA-M C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1OC(n2ccc(=N)nc2[O-])C(O)C1O -479.69 C00307 cpd00256
M-avn-c_c0 averantin * 1 cpd00000
cpd00126_c0 GMP C10H13N5O8P 1 RQFCJASXJCIDSX-UUOKFMHZSA-L N=c1nc([O-])c2ncn(C3OC(COP(=O)([O-])O)C(O)C3O)c2[nH]1 -308.3 C00144 cpd00126
M-lpdme-c_c0 lysophosphatidyl-N-dimethylethanolamine * 1 cpd00000
cpd04354_c0 Lovastatin C24H36O5 1 PCZOHLXUXFIOCF-BXMDZJJMSA-N CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21 -114.02 C07074 cpd04354
cpd00430_m0 PACT C8H8O2 1 IPBVNPXQWQGGJP-UHFFFAOYSA-N CC(=O)Oc1ccccc1 -47.35 C00548 cpd00430
cpd12300_c0 Acylglycerone phosphate C4H5O7PR 1 C03372 cpd12300
cpd00908_c0 Glycerophosphoethanolamine C5H14NO6P 1 JZNWSCPGTDBMEW-UHFFFAOYSA-N NCCOP(=O)(O)OCC(O)CO -311.69 C01233 cpd00908
cpd00037_c0 UDP-N-acetylglucosamine C17H25N3O17P2 1 LFTYTUAZOPRMMI-CFRASDGPSA-L CC([O-])=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc([O-])nc3=O)C(O)C2O)OC(CO)C(O)C1O -756.9 C00043 cpd00037
M-cerb1b-c_c0 cerebrin 1 (comp. B) * 1 cpd00000
cpd00318_c0 Tryptamine C10H13N2 1 APJYDQYYACXCRM-UHFFFAOYSA-O [NH3+]CCc1c[nH]c2ccccc12 54.64 C00398 cpd00318
cpd00216_c0 Chorismate C10H8O6 1 WTFXTQVDAKGDEY-HTQZYQBOSA-L C=C(OC1C=C(C(=O)[O-])C=CC1O)C(=O)[O-] -169.49 C00251 cpd00216
cpd03651_e0 Sphingosine 1-phosphate C18H38NO5P 1 DUYSYHSSBDVJSM-KRWOKUGFSA-M CCCCCCCCCCCCCC=CC(O)C(N)COP(=O)([O-])O -248.58 C06124 cpd03651
cpd03651_c0 Sphingosine 1-phosphate C18H38NO5P 1 DUYSYHSSBDVJSM-KRWOKUGFSA-M CCCCCCCCCCCCCC=CC(O)C(N)COP(=O)([O-])O -248.58 C06124 cpd03651
cpd06706_e0 Cyanobenzene C7H5N 1 JFDZBHWFFUWGJE-UHFFFAOYSA-N N#Cc1ccccc1 41.1 C09814 cpd06706
cpd06706_c0 Cyanobenzene C7H5N 1 JFDZBHWFFUWGJE-UHFFFAOYSA-N N#Cc1ccccc1 41.1 C09814 cpd06706
cpd03607_c0 4-(Phosphonooxy)-threonine C4H9NO7P 1 FKHAKIJOKDGEII-UHFFFAOYSA-L NC(C(=O)[O-])C(O)COP(=O)([O-])O -373.07 C06055 cpd03607
cpd00256_c0 CDPcholine C14H25N4O11P2 1 RZZPDXZPRHQOCG-OJAKKHQRSA-M C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1OC(n2ccc(=N)nc2[O-])C(O)C1O -479.69 C00307 cpd00256
cpd01092_c0 Allantoin C4H6N4O3 1 POJWUDADGALRAB-UHFFFAOYSA-N N=C(O)NC1N=C(O)N=C1O -116.06 C01551 cpd01092
cpd00446_c0 cAMP C10H11N5O6P 1 IVOMOUWHDPKRLL-KQYNXXCUSA-M Nc1ncnc2c1ncn2C1OC2COP(=O)([O-])OC2C1O -191.87 C00575 cpd00446
cpd19440_c0 3-Acetamidopropanal C5H9NO2 1 ARJPPNFIEQKVBB-UHFFFAOYSA-N CC(O)=NCCC=O -63.01 C18170 cpd19440
cpd00095_c0 Glycerone-phosphate C3H6O6P 1 GNGACRATGGDKBX-UHFFFAOYSA-L O=C(CO)COP(=O)([O-])[O-] -320.66 C00111 cpd00095
cpd12543_c0 Carboxybiotin-carboxyl-carrier protein C18H26N5O6R2S 1 C04419 cpd12543
cpd00093_c0 Anthranilate C7H6NO2 1 RWZYAGGXGHYGMB-UHFFFAOYSA-M Nc1ccccc1C(=O)[O-] -48.99 C00108 cpd00093
cpd00338_c0 5-Aminolevulinate C5H9NO3 1 ZGXJTSGNIOSYLO-UHFFFAOYSA-N NCC(=O)CCC(=O)O -112.89 C00430 cpd00338
cpd00540_m0 BET C5H11NO2 1 KWIUHFFTVRNATP-UHFFFAOYSA-N C[N+](C)(C)CC(=O)[O-] -31.03 C00719 cpd00540
cpd01113_c0 Hexanoate C6H11O2 1 FUZZWVXGSFPDMH-UHFFFAOYSA-M CCCCCC(=O)[O-] -80.27 C01585 cpd01113
cpd00638_c0 Deamido-NAD C21H24N6O15P2 1 SENPVEZBRZQVST-HISDBWNOSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OCC2OC([n+]3cccc(C(=O)[O-])c3)C(O)C2O)C(O)C1O -572.03 C00857 cpd00638
cpd00287_m0 3-Oxo-2-methylpropanoate C4H5O3 1 VOKUMXABRRXHAR-VKHMYHEASA-M CC(C=O)C(=O)[O-] -112.07 C00349 cpd00287
cpd00540_c0 BET C5H11NO2 1 KWIUHFFTVRNATP-UHFFFAOYSA-N C[N+](C)(C)CC(=O)[O-] -31.03 C00719 cpd00540
cpd06845_c0 Ochratoxin A C20H17ClNO6 1 RWQKHEORZBHNRI-BMIGLBTASA-M CC1Cc2c(Cl)cc(C(O)=NC(Cc3ccccc3)C(=O)O)c([O-])c2C(=O)O1 -156.29 C09955 cpd06845
cpd00738_c0 phosphoserine C3H7NO6P 1 BZQFBWGGLXLEPQ-REOHCLBHSA-L NC(COP(=O)([O-])O)C(=O)[O-] -336.65 C01005 cpd00738
cpd06845_e0 Ochratoxin A C20H17ClNO6 1 RWQKHEORZBHNRI-BMIGLBTASA-M CC1Cc2c(Cl)cc(C(O)=NC(Cc3ccccc3)C(=O)O)c([O-])c2C(=O)O1 -156.29 C09955 cpd06845
M-c4dacp-c_c0 trans-but-2-enoyl-[acp] * 1 cpd00000
cpd01113_e0 Hexanoate C6H11O2 1 FUZZWVXGSFPDMH-UHFFFAOYSA-M CCCCCC(=O)[O-] -80.27 C01585 cpd01113
cpd12514_c0 Phosphatidyl-N-dimethylethanolamine C9H16NO8PR2 1 C04308 cpd12514
cpd15238_c0 Hexadecenoyl-CoA C37H61N7O17P3S 1 -740.79 cpd15238
cpd00263_c0 Pyridoxol C8H11NO3 1 LXNHXLLTXMVWPM-UHFFFAOYSA-N Cc1ncc(CO)c(CO)c1O -67.43 C00314 cpd00263
cpd00120_m0 Butyryl-CoA C25H39N7O17P3S 1 CRFNGMNYKDXRTN-HDRJHVAISA-J CCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -782.59 C00136 cpd00120
cpd00040_m0 Glyoxalate C2HO3 1 HHLFWLYXYJOTON-UHFFFAOYSA-M O=CC(=O)[O-] -111.04 C00048 cpd00040
cpd00689_c0 Porphobilinogen C10H13N2O4 1 QSHWIQZFGQKFMA-UHFFFAOYSA-M NCc1[nH]cc(CCC(=O)[O-])c1CC(=O)O -118.18 C00931 cpd00689
cpd00428_c0 2-Oxopropanal C3H4O2 1 AIJULSRZWUXGPQ-UHFFFAOYSA-N CC(=O)C=O -59.99 C00546 cpd00428
cpd00807_c0 L-histidinol-phosphate C6H12N3O4P 1 CWNDERHTHMWBSI-YFKPBYRVSA-M NC(COP(=O)([O-])O)Cc1cnc[nH]1 -214.91 C01100 cpd00807
cpd00314_e0 D-Mannitol C6H14O6 1 FBPFZTCFMRRESA-KVTDHHQDSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C00392 cpd00314
cpd15238_m0 Hexadecenoyl-CoA C37H61N7O17P3S 1 -740.79 cpd15238
cpd12689_m0 3-Oxotetradecanoyl-CoA C35H57N7O18P3S 1 IQNFBGHLIVBNOU-QSGBVPJFSA-J CCCCCCCCCCCC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -796.41 C05261 cpd12689
cpd00314_c0 D-Mannitol C6H14O6 1 FBPFZTCFMRRESA-KVTDHHQDSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C00392 cpd00314
cpd00506_c0 gamma-Glutamylcysteine C8H13N2O5S 1 RITKHVBHSGLULN-WHFBIAKZSA-M NC(CCC([O-])=NC(CS)C(=O)O)C(=O)O -190.374 C00669 cpd00506
cpd00858_m0 L-Glutamate5-semialdehyde C5H9NO3 1 KABXUUFDPUOJMW-BYPYZUCNSA-N NC(CCC=O)C(=O)O -111.43 C01165 cpd00858
cpd00235_c0 D-mannose-6-phosphate C6H12O9P 1 NBSCHQHZLSJFNQ-PQMKYFCFSA-L O=P([O-])([O-])OCC1OC(O)C(O)C(O)C1O -430.78 C00275 cpd00235
cpd00040_c0 Glyoxalate C2HO3 1 HHLFWLYXYJOTON-UHFFFAOYSA-M O=CC(=O)[O-] -111.04 C00048 cpd00040
cpd00428_m0 2-Oxopropanal C3H4O2 1 AIJULSRZWUXGPQ-UHFFFAOYSA-N CC(=O)C=O -59.99 C00546 cpd00428
cpd00269_c0 2-Oxoadipate C6H6O5 1 FGSBNBBHOZHUBO-UHFFFAOYSA-L O=C([O-])CCCC(=O)C(=O)[O-] -187.28 C00322 cpd00269
M-dgdmipc-c_c0 Digalactosyl-dimannosyl-inositol-P-ceramide * 1 cpd00000
cpd02755_c0 Fecosterol C28H46O 1 SLQKYSPHBZMASJ-QKPORZECSA-N C=C(CCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1CC3)C(C)C 45.34 C04525 cpd02755
cpd00524_c0 2-Inosose C6H10O6 1 VYEGBDHSGHXOGT-HYFGLKJPSA-N O=C1C(O)C(O)C(O)C(O)C1O -213.4 C00691 cpd00524
cpd00269_m0 2-Oxoadipate C6H6O5 1 FGSBNBBHOZHUBO-UHFFFAOYSA-L O=C([O-])CCCC(=O)C(=O)[O-] -187.28 C00322 cpd00269
cpd00916_c0 Ins(1,4,5)P3 C6H12O15P3 1 MMWCIQZXVOZEGG-XJTPDSDZSA-H O=P([O-])([O-])OC1C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1O -857.46 C01245 cpd00916
cpd00848_c0 1-Methylhistidine C7H11N3O2 1 JDHILDINMRGULE-LURJTMIESA-N Cn1cncc1CC(N)C(=O)O -33.36 C01152 cpd00848
cpd00120_c0 Butyryl-CoA C25H39N7O17P3S 1 CRFNGMNYKDXRTN-HDRJHVAISA-J CCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -782.59 C00136 cpd00120
cpd00287_c0 3-Oxo-2-methylpropanoate C4H5O3 1 VOKUMXABRRXHAR-VKHMYHEASA-M CC(C=O)C(=O)[O-] -112.07 C00349 cpd00287
cpd00171_c0 D-Ribulose5-phosphate C5H10O8P 1 FNZLKVNUWIIPSJ-UHNVWZDZSA-L O=C(CO)C(O)C(O)COP(=O)([O-])[O-] -393.5 C00199 cpd00171
cpd00290_c0 D-fructose-1,6-bisphosphate C6H12O12P2 1 RNBGYGVWRKECFJ-ARQDHWQXSA-J O=P([O-])([O-])OCC1OC(O)(COP(=O)([O-])[O-])C(O)C1O -644.17 C00354 cpd00290
cpd00012_c0 PPi H2O7P2 1 XPPKVPWEQAFLFU-UHFFFAOYSA-L O=P([O-])([O-])OP(=O)(O)O -480.93 C00013 cpd00012
cpd00776_c0 Squalene 2,3-oxide C30H50O 1 QYIMSPSDBYKPPY-RSKUXYSASA-N CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C 119.31 C01054 cpd00776
M-pmme-c_c0 phosphatidyl-N-methylethanolamines * 1 cpd00000
cpd12572_c0 1-Phosphatidyl-1D-myo-inositol 3-phosphate C11H16O16P2R2 1 C04549 cpd12572
cpd03038_c0 14-Demethyllanosterol C29H48O 1 CHGIKSSZNBCNDW-HFPXORMNSA-N CC(C)=CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)C(C)(C)C1CC3 42.88 C05108 cpd03038
cpd00200_c0 4MOP C6H9O3 1 BKAJNAXTPSGJCU-UHFFFAOYSA-M CC(C)CC(=O)C(=O)[O-] -109.64 C00233 cpd00200
cpd00510_c0 deoxyribose-5-phosphate C5H10O7P 1 KKZFLSZAWCYPOC-PYHARJCCSA-L O=P([O-])([O-])OCC1OC(O)CC1O -354.28 C00673 cpd00510
cpd00191_m0 3-Oxopropanoate C3H3O3 1 OAKURXIZZOAYBC-UHFFFAOYSA-M O=CCC(=O)[O-] -111.88 C00222 cpd00191
cpd00200_m0 4MOP C6H9O3 1 BKAJNAXTPSGJCU-UHFFFAOYSA-M CC(C)CC(=O)C(=O)[O-] -109.64 C00233 cpd00200
cpd11421_c0 trdrd C10H15N4O4R4S2 1 C00342 cpd11421
cpd04172_c0 Aflatoxin B1 C17H12O6 1 OQIQSTLJSLGHID-WNWIJWBNSA-N COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C=COC1O2 -108.23 C06800 cpd04172
cpd01447_c0 Benzoylformate C8H5O3 1 FAQJJMHZNSSFSM-UHFFFAOYSA-M O=C([O-])C(=O)c1ccccc1 -78.99 C02137 cpd01447
cpd00247_c0 Orotate C5H3N2O4 1 PXQPEWDEAKTCGB-UHFFFAOYSA-M O=C(O)c1cc([O-])nc(O)n1 -142.48 C00295 cpd00247
cpd02920_c0 2-Amino-4-hydroxy-6-hydroxymethyl-7-8-dihydropteridinediphosphate C7H9N5O8P2 1 FCQGJGLSOWZZON-UHFFFAOYSA-L N=c1nc([O-])c2c([nH]1)NCC(COP(=O)(O)OP(=O)([O-])O)=N2 -423.61 C04807 cpd02920
cpd00011_c0 CO2 CO2 1 CURLTUGMZLYLDI-UHFFFAOYSA-N O=C=O -92.26 C00011 cpd00011
cpd00046_c0 CMP C9H13N3O8P 1 IERHLVCPSMICTF-XVFCMESISA-L N=c1ccn(C2OC(COP(=O)([O-])O)C(O)C2O)c([O-])n1 -345.38 C00055 cpd00046
cpd02884_c0 FAICAR C10H14N4O9P 1 ABCOOORLYAOBOZ-KQYNXXCUSA-L NC(=O)c1ncn(C2OC(COP(=O)([O-])O)C(O)C2O)c1N=C[O-] -372.85 C04734 cpd02884
cpd02692_c0 2-Amino-3-carboxymuconate semialdehyde C7H5NO5 1 KACPVQQHDVBVFC-OIFXTYEKSA-L NC(C(=O)[O-])=C(C=CC=O)C(=O)[O-] -147.03 C04409 cpd02692
cpd00011_e0 CO2 CO2 1 CURLTUGMZLYLDI-UHFFFAOYSA-N O=C=O -92.26 C00011 cpd00011
cpd00497_c0 XMP C10H12N4O9P 1 DCTLYFZHFGENCW-UUOKFMHZSA-L O=P(O)(O)OCC1OC(n2cnc3c([O-])nc([O-])nc32)C(O)C1O -364.43 C00655 cpd00497
cpd00830_c0 4-Hydroxy-2-oxoglutarate C5H4O6 1 WXSKVKPSMAHCSG-UWTATZPHSA-L O=C([O-])C(=O)CC(O)C(=O)[O-] -226.94 C01127 cpd00830
cpd00312_c0 Histamine C5H11N3 1 NTYJJOPFIAHURM-UHFFFAOYSA-P [NH3+]CCc1c[nH+]c[nH]1 34.21 C00388 cpd00312
cpd00312_e0 Histamine C5H11N3 1 NTYJJOPFIAHURM-UHFFFAOYSA-P [NH3+]CCc1c[nH+]c[nH]1 34.21 C00388 cpd00312
cpd00018_c0 AMP C10H13N5O7P 1 UDMBCSSLTHHNCD-KQYNXXCUSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O -257.85 C00020 cpd00018
cpd11822_c0 1-Phosphatidyl-myo-inositol C11H16O13PR2 1 C01194 cpd11822
cpd00508_m0 3MOP C6H9O3 1 JVQYSWDUAOAHFM-BYPYZUCNSA-M CCC(C)C(=O)C(=O)[O-] -109.64 C00671 cpd00508
M-cerb2a-c_c0 cerebrin 2 (comp. A) * 1 cpd00000
cpd00145_c0 Hydroxypyruvate C3H3O4 1 HHDDCCUIIUWNGJ-UHFFFAOYSA-M O=C([O-])C(=O)CO -148.92 C00168 cpd00145
cpd00508_c0 3MOP C6H9O3 1 JVQYSWDUAOAHFM-BYPYZUCNSA-M CCC(C)C(=O)C(=O)[O-] -109.64 C00671 cpd00508
cpd00018_e0 AMP C10H13N5O7P 1 UDMBCSSLTHHNCD-KQYNXXCUSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O -257.85 C00020 cpd00018
cpd00290_m0 D-fructose-1,6-bisphosphate C6H12O12P2 1 RNBGYGVWRKECFJ-ARQDHWQXSA-J O=P([O-])([O-])OCC1OC(O)(COP(=O)([O-])[O-])C(O)C1O -644.17 C00354 cpd00290
cpd00467_c0 3-Sulfinoalanine C3H6NO4S 1 ADVPTQAUNPRNPO-REOHCLBHSA-M NC(CS(=O)O)C(=O)[O-] C00606 cpd00467
cpd00012_m0 PPi H2O7P2 1 XPPKVPWEQAFLFU-UHFFFAOYSA-L O=P([O-])([O-])OP(=O)(O)O -480.93 C00013 cpd00012
cpd03447_m0 2-Octaprenyl-6-methoxy-1,4-benzoquinone C47H70O3 1 AFTBILPWMUSGIN-MYCGWMCTSA-N COC1=CC(=O)C=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O 166.52 C05813 cpd03447
cpd00018_m0 AMP C10H13N5O7P 1 UDMBCSSLTHHNCD-KQYNXXCUSA-L Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O -257.85 C00020 cpd00018
cpd00696_c0 3',5'-Cyclic CMP C9H11N3O7P 1 WCPTXJJVVDAEMW-XVFCMESISA-M N=c1ccn(C2OC3COP(=O)(O)OC3C2O)c([O-])n1 -279.4 C00941 cpd00696
cpd00039_e0 L-Lysine C6H15N2O2 1 KDXKERNSBIXSRK-YFKPBYRVSA-O NC(CCCC[NH3+])C(=O)O -84.04 C00047 cpd00039
cpd03446_m0 2-Octaprenyl-6-methoxyphenol C47H72O2 1 MARGKPIMNMASKJ-CMAXTTDKSA-N COc1cccc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c1O 186.74 C05812 cpd03446
cpd00039_c0 L-Lysine C6H15N2O2 1 KDXKERNSBIXSRK-YFKPBYRVSA-O NC(CCCC[NH3+])C(=O)O -84.04 C00047 cpd00039
cpd00971_e0 Na+ Na 1 FKNQFGJONOIPTF-UHFFFAOYSA-N [Na+] C01330 cpd00971
cpd00971_c0 Na+ Na 1 FKNQFGJONOIPTF-UHFFFAOYSA-N [Na+] C01330 cpd00971
cpd11225_c0 3-4-dihydroxy-2-butanone4-phosphate C4H8O6P 1 OKYHYXLCTGGOLM-SCSAIBSYSA-L CC(=O)C(O)COP(=O)([O-])[O-] -320.85 C15556 cpd11225
cpd00971_m0 Na+ Na 1 FKNQFGJONOIPTF-UHFFFAOYSA-N [Na+] C01330 cpd00971
cpd00668_m0 ALCTT C5H7O4 1 NMDWGEGFJUBKLB-YFKPBYRVSA-M CC(=O)C(C)(O)C(=O)[O-] -153.18 C00900 cpd00668
cpd00954_c0 6-hydroxymethyl dihydropterin C7H9N5O2 1 CQQNNQTXUGLUEV-UHFFFAOYSA-N N=c1nc(O)c2c([nH]1)NCC(CO)=N2 -3.11 C01300 cpd00954
cpd00790_c0 O-Acetyl-L-homoserine C6H11NO4 1 FCXZBWSIAGGPCB-YFKPBYRVSA-N CC(=O)OCCC(N)C(=O)O -159.98 C01077 cpd00790
cpd11489_c0 3-oxododecanoyl-acp C12H21O2RS 1 C05756 cpd11489
M-c141acp-c_c0 tetradecenoyl-[acp] * 1 cpd00000
M-c181car-m_m0 octadecenoyl-carnitine * 1 cpd00000
cpd00011_m0 CO2 CO2 1 CURLTUGMZLYLDI-UHFFFAOYSA-N O=C=O -92.26 C00011 cpd00011
cpd00046_m0 CMP C9H13N3O8P 1 IERHLVCPSMICTF-XVFCMESISA-L N=c1ccn(C2OC(COP(=O)([O-])O)C(O)C2O)c([O-])n1 -345.38 C00055 cpd00046
cpd01398_m0 Linoleoyl-CoA C39H63N7O17P3S 1 YECLLIMZHNYFCK-RRNJGNTNSA-J CCCCCC=CCC=CCCCCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -715.19 C02050 cpd01398
cpd01170_c0 Ergosterol C28H44O 1 DNVPQKQSNYMLRS-APGDWVJJSA-N CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C 52.3 C01694 cpd01170
M-bdfru-e_e0 beta-D-Fructose * 1 cpd00000
M-bdfru-c_c0 beta-D-Fructose * 1 cpd00000
cpd00644_c0 PAN C9H16NO5 1 GHOKWGTUZJEAQD-ZETCQYMHSA-M CC(C)(CO)C(O)C(O)=NCCC(=O)[O-] -188.54 C00864 cpd00644
cpd00644_e0 PAN C9H16NO5 1 GHOKWGTUZJEAQD-ZETCQYMHSA-M CC(C)(CO)C(O)C(O)=NCCC(=O)[O-] -188.54 C00864 cpd00644
cpd00672_c0 D-Fructuronate C6H9O7 1 PTCIWUZVDIQTOW-XDJBDKDSSA-M O=C([O-])C1OC(O)(CO)C(O)C1O -262.39 C00905 cpd00672
cpd22594_c0 Versicolorin C C18H12O7 1 BABJNKGTTYCTOO-ULCDLSAGSA-N O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C2CCOC2O1 -176.28 cpd22594
cpd00122_c0 N-Acetyl-D-glucosamine C8H15NO6 1 OVRNDRQMDRJTHS-RTRLPJTCSA-N CC(O)=NC1C(O)OC(CO)C(O)C1O -212.63 C00140 cpd00122
cpd03118_m0 (S)-Hydroxydecanoyl-CoA C31H51N7O18P3S 1 HIVSMYZAMUNFKZ-PNPVFPMQSA-J CCCCCCCC(O)CC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -810.91 C05264 cpd03118
cpd00007_c0 O2 O2 1 MYMOFIZGZYHOMD-UHFFFAOYSA-N O=O 3.9197 C00007 cpd00007
cpd00007_e0 O2 O2 1 MYMOFIZGZYHOMD-UHFFFAOYSA-N O=O 3.9197 C00007 cpd00007
cpd00122_e0 N-Acetyl-D-glucosamine C8H15NO6 1 OVRNDRQMDRJTHS-RTRLPJTCSA-N CC(O)=NC1C(O)OC(CO)C(O)C1O -212.63 C00140 cpd00122
cpd00464_c0 alpha-Tolualdehyde C8H8O 1 DTUQWGWMVIHBKE-UHFFFAOYSA-N O=CCc1ccccc1 2.82 C00601 cpd00464
cpd00006_c0 NADP C21H26N7O17P3 1 XJLXINKUBYWONI-NNYOXOHSSA-K N=C([O-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)([O-])[O-])C3O)C(O)C2O)c1 -742.09 C00006 cpd00006
cpd01171_c0 Dulcose C6H14O6 1 FBPFZTCFMRRESA-GUCUJZIJSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C01697 cpd01171
cpd01171_e0 Dulcose C6H14O6 1 FBPFZTCFMRRESA-GUCUJZIJSA-N OCC(O)C(O)C(O)C(O)CO -225.44 C01697 cpd01171
cpd00130_m0 L-Malate C4H4O5 1 BJEPYKJPYRNKOW-REOHCLBHSA-L O=C([O-])CC(O)C(=O)[O-] -201 C00149 cpd00130
cpd00138_c0 D-Mannose C6H12O6 1 WQZGKKKJIJFFOK-PQMKYFCFSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00159 cpd00138
cpd11420_c0 trdox C10H13N4O4R4S2 1 C00343 cpd11420
cpd00138_e0 D-Mannose C6H12O6 1 WQZGKKKJIJFFOK-PQMKYFCFSA-N OCC1OC(O)C(O)C(O)C1O -218.28 C00159 cpd00138
cpd08927_c0 Ceramide II C19H38NO4R 1 C12145 cpd08927
cpd00464_m0 alpha-Tolualdehyde C8H8O 1 DTUQWGWMVIHBKE-UHFFFAOYSA-N O=CCc1ccccc1 2.82 C00601 cpd00464
M-dhival-m_m0 2,3-Dihydroxy-isovalerate * 1 cpd00000
cpd03124_c0 Hexanoyl-CoA C27H43N7O17P3S 1 OEXFMSFODMQEPE-UHFFFAOYSA-J CCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -779.35 C05270 cpd03124
cpd11483_c0 (R)-3-Hydroxyoctanoyl-[acyl-carrier protein] C8H15O2RS 1 C04620 cpd11483
cpd00006_m0 NADP C21H26N7O17P3 1 XJLXINKUBYWONI-NNYOXOHSSA-K N=C([O-])c1ccc[n+](C2OC(COP(=O)(O)OP(=O)([O-])OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)([O-])[O-])C3O)C(O)C2O)c1 -742.09 C00006 cpd00006
cpd02654_c0 4-Methyl-5--2-phosphoethyl-thiazole C6H9NO4PS 1 OCYMERZCMYJQQO-UHFFFAOYSA-L Cc1ncsc1CCOP(=O)([O-])[O-] -219.61 C04327 cpd02654
cpd08927_e0 Ceramide II C19H38NO4R 1 C12145 cpd08927
cpd00810_c0 Orotidylic acid C10H11N2O11P 1 KYOBSHFOBAOFBF-XVFCMESISA-K O=C([O-])c1cc([O-])nc(=O)n1C1OC(COP(=O)([O-])O)C(O)C1O -479.18 C01103 cpd00810
cpd00007_m0 O2 O2 1 MYMOFIZGZYHOMD-UHFFFAOYSA-N O=O 3.9197 C00007 cpd00007
M-lpc-c_c0 1-Lysophosphatidylcholine * 1 cpd00000
M-c182car-c_c0 octadecadienoyl-carnitine * 1 cpd00000
cpd00076_e0 Sucrose C12H22O11 1 CZMRCDWAGMRECN-UGDNZRGBSA-N OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O -377.65 C00089 cpd00076
cpd00096_c0 CDP C9H13N3O11P2 1 ZWIADYZPOWUWEW-XVFCMESISA-L N=c1ccn(C2OC(COP(=O)(O)OP(=O)([O-])O)C(O)C2O)c([O-])n1 -553.38 C00112 cpd00096
cpd00282_c0 S-Dihydroorotate C5H5N2O4 1 UFIVEPVSAGBUSI-REOHCLBHSA-M O=C(O)C1CC([O-])=NC(O)=N1 -151.52 C00337 cpd00282
cpd00130_c0 L-Malate C4H4O5 1 BJEPYKJPYRNKOW-REOHCLBHSA-L O=C([O-])CC(O)C(=O)[O-] -201 C00149 cpd00130
cpd00130_e0 L-Malate C4H4O5 1 BJEPYKJPYRNKOW-REOHCLBHSA-L O=C([O-])CC(O)C(=O)[O-] -201 C00149 cpd00130
cpd03124_m0 Hexanoyl-CoA C27H43N7O17P3S 1 OEXFMSFODMQEPE-UHFFFAOYSA-J CCCCCC(=O)SCCN=C([O-])CCN=C([O-])C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-] -779.35 C05270 cpd03124
cpd01018_c0 Cystine C6H12N2O4S2 1 LEVWYRKDKASIDU-IMJSIDKUSA-N NC(CSSCC(N)C(=O)O)C(=O)O -159.61 C01420 cpd01018
cpd00058_c0 Cu2+ Cu 1 JPVYNHNXODAKFH-UHFFFAOYSA-N [Cu+2] C00070 cpd00058
cpd00058_e0 Cu2+ Cu 1 JPVYNHNXODAKFH-UHFFFAOYSA-N [Cu+2] C00070 cpd00058
M-lpg-c_c0 L-lysophosphatidylethanolamine * 1 cpd00000
cpd00002_m0 ATP C10H13N5O13P3 1 ZKHQWZAMYRWXGA-KQYNXXCUSA-K Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])C(O)C1O -673.85 C00002 cpd00002
M-c182car-m_m0 octadecadienoyl-carnitine * 1 cpd00000
cpd00332_c0 Mevalonic acid C6H11O4 1 KJTLQQUUPVSXIM-ZCFIWIBFSA-M CC(O)(CCO)CC(=O)[O-] -157.77 C00418 cpd00332
cpd03608_c0 4-Hydroxy-L-threonine C4H9NO4 1 JBNUARFQOCGDRK-GBXIJSLDSA-N NC(C(=O)O)C(O)CO -160.57 C06056 cpd03608
cpd00002_c0 ATP C10H13N5O13P3 1 ZKHQWZAMYRWXGA-KQYNXXCUSA-K Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])C(O)C1O -673.85 C00002 cpd00002
cpd00039_m0 L-Lysine C6H15N2O2 1 KDXKERNSBIXSRK-YFKPBYRVSA-O NC(CCCC[NH3+])C(=O)O -84.04 C00047 cpd00039
cpd00358_c0 dUTP C9H12N2O14P3 1 AHCYMLUZIRLXAA-SHYZEUOFSA-K O=c1nc([O-])ccn1C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O1 -773.93 C00460 cpd00358
cpd00218_c0 Niacin C6H4NO2 1 PVNIIMVLHYAWGP-UHFFFAOYSA-M O=C([O-])c1cccnc1 -36.89 C00253 cpd00218
M-lpe-c_c0 L-lysophosphatidylethanolamine * 1 cpd00000
cpd11474_c0 Decanoyl-ACP C10H19ORS 1 C05755 cpd11474
cpd02978_m0 7,8-Dihydroneopterin 3'-triphosphate C9H13N5O13P3 1 DGGUVLXVLHAAGT-XINAWCOVSA-K N=c1nc([O-])c2c([nH]1)NCC(C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])=N2 -704.45 C04895 cpd02978
cpd00107_c0 L-Leucine C6H13NO2 1 ROHFNLRQFUQHCH-YFKPBYRVSA-N CC(C)CC(N)C(=O)O -84.87 C00123 cpd00107
cpd00834_c0 Phosphopantetheine C11H22N2O7PS 1 JDMUPRLRUUMCTL-VIFPVBQESA-L CC(C)(COP(=O)(O)O)C(O)C([O-])=NCCC([O-])=NCCS -347.644 C01134 cpd00834