10dacb 10-Deacetylbaccatin III C29H36O10 0 19/09/2018 Benzoate degradation 10dacdbb 10-Deacetyl-2-debenzoylbaccatin III C22H32O9 0 19/09/2018 Benzoate degradation 10dmthmcn 10-Deoxymethymycin C25H44NO6 1 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides 10dmthnld 10-Deoxymethynolide C17H28O4 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides 10fdhf 10-Formyldihydrofolate C20H19N7O7 C20H19N7O7 -2 19/09/2018 Folate metabolism 10fthf 10-Formyltetrahydrofolate C20H21N7O7 -2 C00234 122347 15637 AUFGTPPARQZWDO-YUZLPWPTSA-L HMDB00972 02/07/2014 Folate metabolism 10fthf5glu 10-formyltetrahydrofolate-[Glu](5) C40H45N11O19 -6 RGSLBOWMZCMTRA-UHFFFAOYSA-H 02/07/2014 Folate metabolism 10fthf6glu 10-formyltetrahydrofolate-[Glu](6) C45H51N12O22 -7 SFFBEUFYOPMKMV-CWMPVMSNSA-G 02/07/2014 Folate metabolism 10fthf7glu 10-formyltetrahydrofolate-[Glu](7) C50H57N13O25 -8 VTHHVZBTNSHUDD-UHFFFAOYSA-F 02/07/2014 Folate metabolism 10fthfglu_L 10-Formyl-THF-L-glutamate C25H27N8O10 -3 C06701 12/11/2020 10hdhsngnrn 10-Hydroxydihydrosanguinarine C20H15NO5 0 19/09/2018 Isoquinoline alkaloid biosynthesis 10hocdca (R)-10-Hydroxystearate C18H35O3 C18H35O3 -1 19/09/2018 Fatty acid oxidation 10m3hddcaACP 10-methyl-3-hydroxy-dodecanoyl-ACP C24H45N2O9PRS -1 02/07/2014 Fatty acid synthesis 10m3hundecACP 10-methyl-3-hydroxy-undecanoyl-ACP C23H43N2O9PRS -1 02/07/2014 Fatty acid synthesis 10m3oddcaACP 10-methyl-3-oxo-dodecanoyl-ACP C24H43N2O9PRS -1 02/07/2014 Fatty acid synthesis 10m3oundecACP 10-methyl-3-oxo-undecanoyl-ACP C23H41N2O9PRS -1 02/07/2014 Fatty acid synthesis 10mddcaACP 10-methyl-dodecanoyl-ACP C24H45N2O8PRS -1 02/07/2014 Fatty acid synthesis 10mtddec2eACP 10-methyl-trans-dodec-2-enoyl-ACP C24H43N2O8PRS -1 02/07/2014 Fatty acid synthesis 10mtundec2eACP 10-methyl-trans-undec-2-enoyl-ACP C23H41N2O8PRS -1 02/07/2014 Fatty acid synthesis 10mundecACP 10-methyl-undecanoyl-ACP C23H43N2O8PRS -1 02/07/2014 Fatty acid synthesis 11_cis_retfa fatty acid 11-cis-retinol C20H29OFULLR2CO 0 02/07/2014 Vitamin A metabolism 11docrtsl 11-deoxycortisol C21H30O4 0 C05488 53477676 28324 WHBHBVVOGNECLV-OBQKJFGGSA-N HMDB00015 02/07/2014 Steroid metabolism 11docrtstrn 11-deoxycorticosterone C21H30O3 0 C03205 6166 16973 ZESRJSPZRDMNHY-YFWFAHHUSA-N HMDB00016 02/07/2014 Steroid metabolism 11m3hddcaACP 11-methyl-3-hydroxy-dodecanoyl-ACP C24H45N2O9PRS -1 02/07/2014 Fatty acid synthesis 11m3oddcaACP 11-methyl-3-oxo-dodecanoyl-ACP C24H43N2O9PRS -1 02/07/2014 Fatty acid synthesis 11mddcaACP 11-methyl-dodecanoyl-ACP C24H45N2O8PRS -1 02/07/2014 Fatty acid synthesis 11mtddec2eACP 11-methyl-trans-dodec-2-enoyl-ACP C24H43N2O8PRS -1 02/07/2014 Fatty acid synthesis 11od17odeacvind 11-O-Demethyl-17-O-deacetylvindoline C22H28N2O5 C22H29N2O5 1 C04318 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 12acndl 1,2-Anthracenediol C14H10O2 0 19/09/2018 Polycyclic aromatic hydrocarbon degradation 12bishp4ppl 1,2-Bis(4-hydroxyphenyl)-2-propanol C15H16O3 C15H16O3 0 C13629 01/07/2019 Xenobiotics metabolism 12d4mch35d1c cis-1,2-Dihydroxy-4-methylcyclohexa-3,5-diene-1-carboxylate C8H9O4 -1 19/09/2018 Benzoate degradation 12daihdglyc 1,2-Dianteisoheptadecanoyl-sn-glycerol C37H72O5 C37H72O5 0 02/07/2014 Glycerophospholipid metabolism 12daipdglyc 1,2-Dianteisopentadecanoyl-sn-glycerol C33H64O5 C33H64O5 0 02/07/2014 Glycerophospholipid metabolism 12dgr_HP 1,2-Diacylglycerol Hp specific C36H68O5 0 17/07/2015 12dgr_LLA 1_2_diacylglycerol__lactis_specific_ C3720H6998O500 0 02/07/2014 Cell wall biosynthesis 12dgr120 1,2-Diacyl-sn-glycerol (didodecanoyl, n-C12:0) C27H52O5 0 17815 OQQOAWVKVDAJOI-UHFFFAOYSA-N 02/07/2014 Glycerophospholipid metabolism 12dgr140 1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0) C31H60O5 0 02/07/2014 Cell wall biosynthesis 12dgr141 1,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1) C31H56O5 0 02/07/2014 Glycerophospholipid metabolism 12dgr160 1,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0) C35H68O5 0 02/07/2014 Cell wall biosynthesis 12dgr161 1,2-Diacyl-sn-glycerol (dihexadec-9-enoyl, n-C16:1) C35H64O5 0 02/07/2014 Glycerophospholipid metabolism 12dgr180 1,2-Diacyl-sn-glycerol (dioctadecanoyl, n-C18:0) C39H76O5 0 02/07/2014 Cell wall biosynthesis 12dgr181 1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1) C39H72O5 0 02/07/2014 Glycerophospholipid metabolism 12dgr2_ST Membrane 1,2-diacylglycerol mixture X 0 02/07/2014 12dhchol 12-Dehydrocholate C24H38O5 C24H37O5 -1 22/12/2016 Bile acid metabolism 12dhnp12d cis-1,2-Dihydronaphthalene-1,2-diol C10H10O2 0 19/09/2018 Xenobiotics metabolism 12dhrtclnm 1,2-Dehydroreticulinium C19H22NO4 1 19/09/2018 Isoquinoline alkaloid biosynthesis 12dhtc 12-Dehydrotetracycline C22H22N2O8 0 19/09/2018 Xenobiotics metabolism 12dihdglyc 1,2-Diisoheptadecanoyl-sn-glycerol C37H72O5 C37H72O5 0 02/07/2014 Cell wall biosynthesis 12dipdglyc 1,2-Diisopentadecanoyl-sn-glycerol C33H64O5 C33H64O5 0 02/07/2014 Cell wall biosynthesis 12ditdglyc 1,2-Diisotetradecanoyl-sn-glycerol C31H60O5 C31H60O5 0 02/07/2014 Cell wall biosynthesis 12dixdglyc 1,2-Diisohexadecanoyl-sn-glycerol C35H68O5 C35H68O5 0 02/07/2014 Cell wall biosynthesis 12dvmln 1,2-Dihydrovomilenine C21H24N2O3 0 19/09/2018 Indole alkaloid biosynthesis 12ethd 1,2-Ethanediol C2H6O2 C2H6O2 0 C01380 HMDB0037790 02/07/2014 Pyruvate metabolism 12glcglcur 1,2-beta-D-Glucuronosyl-D-glucuronate C12H18O13 C12H16O13 -2 C04354 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 12harachd 12 hydroxy arachidonic acid C20H31O3 -1 5312983 ZNHVWPKMFKADKW-FUOBAMOMSA-M HMDB06111 02/07/2014 Eicosanoid metabolism 12HPET 12-Hydroperoxyeicosa-5,8,10,14-tetraenoate C20H31O4 -1 C05965 5280892 15626 ZIOZYRSDNLNNNJ-APFHZBIOSA-M HMDB04243 02/07/2014 Arachidonic acid metabolism 12htacr 12-HT or M-VI, 12-hydroxy tacrolimus C44H69NO13 C44H69NO13 0 02/07/2014 Drug metabolism 12m3hmyrsACP 12-methyl-3-hydroxy-tetra-decanoyl-ACP C26H49N2O9PRS -1 02/07/2014 Fatty acid synthesis 12m3htridecACP 12-methyl-3-hydroxy-tridecanoyl-ACP C25H47N2O9PRS -1 02/07/2014 Fatty acid synthesis 12m3omyrsACP 12-methyl-3-oxo-tetra-decanoyl-ACP C26H47N2O9PRS -1 02/07/2014 Fatty acid synthesis 12m3otridecACP 12-methyl-3-oxo-tridecanoyl-ACP C25H45N2O9PRS -1 02/07/2014 Fatty acid synthesis 12mmyrsACP 12-methyl-tetra-decanoyl-ACP C26H49N2O8PRS -1 02/07/2014 Fatty acid synthesis 12mtmrs2eACP 12-methyl-trans-tetra-dec-2-enoyl-ACP C26H47N2O8PRS -1 02/07/2014 Fatty acid synthesis 12mtridecACP 12-methyl-tridecanoyl-ACP C25H47N2O8PRS -1 02/07/2014 Fatty acid synthesis 12mttritec2eACP 12-methyl-trans-tridec-2-enoyl-ACP C25H45N2O8PRS -1 02/07/2014 Fatty acid synthesis 12npthldl 1,2-Naphthalenediol C10H8O2 C10H8O2 0 HMDB0060497 02/07/2014 Polycyclic aromatic hydrocarbon degradation 12ppd_R (R)-propane-1,2-diol C3H8O2 0 C00583 1030 16997 DNIAPMSPPWPWGF-UHFFFAOYSA-N HMDB01881 02/07/2014 Pentose and glucuronate interconversions 12ppd_S (S)-propane-1,2-diol C3H8O2 0 C02917 439846 29002 DNIAPMSPPWPWGF-VKHMYHEASA-N HMDB06213 02/07/2014 Glyoxylate and dicarboxylate metabolism 12RHPET 12R-Hydroperoxyeicosatetraenoate C20H31O4 -1 C14812 34145 ZIOZYRSDNLNNNJ-AUXIVJNKSA-M HMDB06222 02/07/2014 Eicosanoid metabolism 13_cis_oretn 13-cis-oxo-retinoic acid C20H27O3 -1 GGCUJPCCTQNTJF-FAOQNJJDSA-M 02/07/2014 Vitamin A metabolism 13_cis_retn 13-cis-retinoate C20H27O2 -1 D00348 5282379 6067 SHGAZHPCJJPHSC-XFYACQKRSA-M HMDB06219 02/07/2014 Vitamin A metabolism 13_cis_retnglc 13-cis-retinoyl glucuronide C26H35O8 -1 C11061 5281877 28870 MTGFYEHKPMOVNE-JZXLACIESA-M HMDB03141 02/07/2014 Vitamin A metabolism 1331tacr 13,31-O-Didesmethyl-tacrolimus C42H65NO12 C42H65NO12 0 02/07/2014 Drug metabolism 13dampp trimethylenediaminium C3H12N2 2 C00986 428 15725 XFNJVJPLKCPIBV-UHFFFAOYSA-P HMDB00002 02/07/2014 Arginine and proline metabolism 13dmt 13-O-desmethyl tacrolimus, 13-DMT or M-I C43H67NO12 C43H67NO12 0 02/07/2014 Drug metabolism 13dmxnthn 1,3-Dimethylxanthine C7H8N4O2 0 19/09/2018 Caffeine metabolism 13dpg 3-Phospho-D-glyceroyl phosphate C3H4O10P2 -4 C00236 683 16001 LJQLQCAXBUHEAZ-UWTATZPHSA-J HMDB01270 02/07/2014 Glycolysis/gluconeogenesis 13m3hmyrsACP 13-methyl-3-hydroxy-tetra-decanoyl-ACP C26H49N2O9PRS -1 02/07/2014 Fatty acid synthesis 13m3omyrsACP 13-methyl-3-oxo-tetra-decanoyl-ACP C26H47N2O9PRS -1 02/07/2014 Fatty acid synthesis 13mmyrsACP 13-methyl-tetra-decanoyl-ACP C26H49N2O8PRS -1 02/07/2014 Fatty acid synthesis 13mtmrs2eACP 13-methyl-trans-tetra-dec-2-enoyl-ACP C26H47N2O8PRS -1 02/07/2014 Fatty acid synthesis 13ppd Propane-1,3-diol C3H8O2 C3H8O2 0 C02457 5477 16109 OCCCO 02/07/2014 Glycerophospholipid metabolism 13shpoddnt 13S-Hydroperoxy-9Z,11E-octadecadienoic acid C18H31O4 -1 19/09/2018 Linoleate metabolism 14bdc 1,4-Benzenedicarboxylic acid C8H4O4 -2 19/09/2018 Xenobiotics metabolism 14dgndnbtn 1,4-Diguanidinobutane C6H18N6 2 19/09/2018 Xenobiotics metabolism 14glucan 1,4-alpha-D-glucan C36H62O31 0 02/07/2014 Starch and sucrose metabolism 14hmdz 1,4-Dihydroxy-midazolam C18H13ClFN3O2 C18H13ClFN3O2 0 02/07/2014 Drug metabolism 14hphe2maoh 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol C9H14NO2 1 19/09/2018 Xenobiotics metabolism 14lctn 1,4-Lactone C4H6O2 0 19/09/2018 Galactose metabolism 14m3hpalmACP 14-methyl-3-hydroxy-hexa-decanoyl-ACP C28H53N2O9PRS -1 02/07/2014 Fatty acid synthesis 14m3hpentdecACP 14-methyl-3-hydroxy-pentadecanoyl-ACP C27H51N2O9PRS -1 02/07/2014 Fatty acid synthesis 14m3opalmACP 14-methyl-3-oxo-hexa-decanoyl-ACP C28H51N2O9PRS -1 02/07/2014 Fatty acid synthesis 14m3opentdecACP 14-methyl-3-oxo-pentadecanoyl-ACP C27H49N2O9PRS -1 02/07/2014 Fatty acid synthesis 14mpalmACP 14-methyl-hexa-decanoyl-ACP C28H53N2O8PRS -1 02/07/2014 Fatty acid synthesis 14mpentdecACP 14-methyl-pentadecanoyl-ACP C27H51N2O8PRS -1 02/07/2014 Fatty acid synthesis 14mtpalm2eACP 14-methyl-trans-hexa-dec-2-enoyl-ACP C28H51N2O8PRS -1 02/07/2014 Fatty acid synthesis 14mtpentdec2eACP 14-methyl-trans-pentadec-2-enoyl-ACP C27H49N2O8PRS -1 02/07/2014 Fatty acid synthesis 1513tacr 13,15-O-didesmethyl tacrolimus C42H65NO12 C42H65NO12 0 02/07/2014 Drug metabolism 1531tacr 15, 31-O-Didesmethyl-tacrolimus C42H65NO12 C42H65NO12 0 02/07/2014 Drug metabolism 15ahgtl 1,5-Anhydroglucitol C6H12O5 0 19/09/2018 Fructose and mannose metabolism 15anhfruc 1,5-Anhydro-D-fructose C6H10O5 0 19/09/2018 Fructose and mannose metabolism 15dap 1,5-Diaminopentane C5H16N2 2 C01672 273 HMDB02322 02/07/2014 Arginine and proline metabolism 15dmt 15-DMT or M-III, 15-O-desmethyl tacrolimus C43H67NO12 C43H67NO12 0 02/07/2014 Drug metabolism 15HPET 15(S)-HPETE(1-) C20H31O4 -1 C05966 5280893 15628 BFWYTORDSFIVKP-VAEKSGALSA-M HMDB04244 02/07/2014 Arachidonic acid metabolism 15kprostgf2 15-Keto-Prostaglandin F2A C20H31O5 -1 LOLJEILMPWPILA-AMFHKTBMSA-M 03/01/2017 Eicosanoid metabolism 15m3hpalmACP 15-methyl-3-hydroxy-hexa-decanoyl-ACP C28H53N2O9PRS -1 02/07/2014 Fatty acid synthesis 15m3opalmACP 15-methyl-3-oxo-hexa-decanoyl-ACP C28H51N2O9PRS -1 02/07/2014 Fatty acid synthesis 15mpalmACP 15-methyl-hexa-decanoyl-ACP C28H53N2O8PRS -1 02/07/2014 Fatty acid synthesis 15mtpalm2eACP 15-methyl-trans-hexa-dec-2-enoyl-ACP C28H51N2O8PRS -1 02/07/2014 Fatty acid synthesis 15phytn 15-cis-Phytoene C40H64 C40H64 0 02/07/2014 Terpenoid backbone biosynthesis 16evsmn 16-Epivellosimine C19H20N2O 0 19/09/2018 Indole alkaloid biosynthesis 16htabson 16-Hydroxytabersonine C21H24N2O3 C21H25N2O3 1 C11643 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 16mo23dh3htsn 16-Methoxy-2,3-dihydro-3-hydroxytabersonine C22H28N2O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 16mtabson 16-Methoxytabersonine C22H26N2O3 C22H27N2O3 1 C11675 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 17ahprgnlone 17alpha-hydroxypregnenolone C21H32O3 0 C05138 91451 28750 JERGUCIJOXJXHF-TVWVXWENSA-N HMDB00363 02/07/2014 Steroid metabolism 17ahprgstrn 17alpha-hydroxyprogesterone C21H30O3 0 C01176 6238 17252 DBPWSSGDRRHUNT-CEGNMAFCSA-N HMDB00374 02/07/2014 Steroid metabolism 17dmurt 1,7-Dimethyluric acid C7H8N4O3 0 19/09/2018 Caffeine metabolism 17oajmln 17-O-Acetylajmaline C22H29N2O3 1 19/09/2018 Indole alkaloid biosynthesis 17oanrjmln 17-O-Acetylnorajmaline C21H27N2O3 1 19/09/2018 Indole alkaloid biosynthesis 18harachd 18 hydroxy arachidonic acid C20H31O3 -1 11141754 PPCHNRUZQWLEMF-LFFPGIGVSA-M HMDB06245 02/07/2014 Eicosanoid metabolism 1a2425thvitd2 1-alpha,24R,25-Trihydroxyvitamin D2 C28H44O4 0 9547253 KRGCLKZOZQUAFK-ABEKVIRTSA-N HMDB06227 02/07/2014 Vitamin D metabolism 1a2425thvitd3 calcitetrol C27H44O4 0 C18231 6446280 47799 WFZKUWGUJVKMHC-UKBUZQLGSA-N HMDB06228 02/07/2014 Vitamin D metabolism 1a25dhvitd2 1-alpha,25-Dihydroxyvitamin D2 C28H44O3 0 9547243 ZGLHBRQAEXKACO-XJRQOBMKSA-N HMDB06225 02/07/2014 Vitamin D metabolism 1a25dhvitd3 calcitriol C27H44O3 0 C01673 5280453 17823 GMRQFYUYWCNGIN-NKMMMXOESA-N HMDB01903 02/07/2014 Vitamin D metabolism 1agpe120 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C12:0) C17H36NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe140 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:0) C19H40NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe141 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1) C19H38NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe160 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:0) C21H44NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe161 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:1) C21H42NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe180 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:0) C23H48NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpe181 1-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:1) C23H46NO7P1 0 02/07/2014 Glycerophospholipid metabolism 1agpg120 1-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) C18H36O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg140 1-Acyl-sn-glycero-3-phosphoglycerol (n-C14:0) C20H40O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg141 1-Acyl-sn-glycero-3-phosphoglycerol (n-C14:1) C20H38O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg160 1-Acyl-sn-glycero-3-phosphoglycerol (n-C16:0) C22H44O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg161 1-Acyl-sn-glycero-3-phosphoglycerol (n-C16:1) C22H42O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg180 1-Acyl-sn-glycero-3-phosphoglycerol (n-C18:0) C24H48O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1agpg181 1-Acyl-sn-glycero-3-phosphoglycerol (n-C18:1) C24H46O9P1 -1 02/07/2014 Glycerophospholipid metabolism 1aihpdecg3p 1-anteisoheptadecanoyl-sn-glycerol 3-phosphate (14-methyl-hexadecanoyl, anteiso-C17) C20H39O7P -2 02/07/2014 Glycerophospholipid metabolism 1aipdecg3p 1-anteisopentadecanoyl-sn-glycerol 3-phosphate (12-methyl-tetradecanoyl, anteiso-C15) C18H36O7P -1 02/07/2014 Glycerophospholipid metabolism 1asng 1-Alkyl-sn-glycerol C3H7O3R 0 19/09/2018 Glycerophospholipid metabolism 1c24dnb 1-chloro-2,4-dinitrobenzene C6H3ClN2O4 0 02/07/2014 1ddecg3p 1-acyl-sn-glycerol 3-phosphate(2-) C15H29O7P1 -2 57970 02/07/2014 Glycerophospholipid metabolism 1fagalr 1F-alpha-D-Galactosylraffinose C24H42O21 0 19/09/2018 Starch and sucrose metabolism 1fbfrctsylsucr 1F-beta-D-Fructosylsucrose C18H32O16 0 19/09/2018 Starch and sucrose metabolism 1fchhdl 1-Fluorocyclohexadiene-cis,cis-1,2-diol C6H7O2F 0 19/09/2018 Xenobiotics metabolism 1glyc_hs 1 acyl phosphoglycerol C6H13O7PFULLRCO2 -1 02/07/2014 Triacylglycerol synthesis 1h2npt 1-Hydroxy-2-naphthoate C11H8O3 C11H7O3 -1 02/07/2014 Polycyclic aromatic hydrocarbon degradation 1hchxn1ylaccoa (1-Hydroxycyclohexan-1-yl)acetyl-CoA C29H44N7O18P3S C29H45N7O18P3S -3 19/09/2018 Xenobiotics metabolism 1hdec9eg3p 1-hexadec-9-enoyl-sn-glycerol 3-phosphate C19H35O7P1 -2 02/07/2014 Glycerophospholipid metabolism 1hdecg3p 1-hexadecanoyl-sn-glycerol 3-phosphate C19H37O7P1 -2 02/07/2014 Cell wall biosynthesis 1hgcrtn 1-Hydroxy-gamma-carotene C40H58O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 1hibup_S 1-hydroxy S-ibuprofen C13H18O3 C13H17O3 -1 45117195 02/07/2014 Drug metabolism 1hibupglu_S 1-hydroxy S-ibuprofen-glucuronide C19H26O9 C19H25O9 -1 02/07/2014 Drug metabolism 1hmdgluc 1-OH-midazolam-glucuronide C24H21ClFN3O7 C24H20ClFN3O7 -1 02/07/2014 Drug metabolism 1hmnp 1-Hydroxymethylnaphthalene C11H10O 0 19/09/2018 Miscellaneous 1hnpaldh 1-Hydroxy-2-naphthaldehyde C11H8O2 0 19/09/2018 Xenobiotics metabolism 1holmn (1S,4R)-1-Hydroxy-2-oxolimonene C10H16O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 1ihdecg3p 1-isohexadecanoyl-sn-glycerol 3-phosphate (14-methyl-pentadecanoyl, iso-C16) C19H38O7P -1 02/07/2014 Glycerophospholipid metabolism 1ihpdecg3p 1-isoheptadecanoyl-sn-glycerol 3-phosphate (15-methyl-hexadecanoyl, iso-C17) C20H39O7P -2 02/07/2014 Glycerophospholipid metabolism 1ipdecg3p 1-isopentadecanoyl-sn-glycerol 3-phosphate (13-methyl-tetradecanoyl, iso-C15) C18H36O7P -1 02/07/2014 Glycerophospholipid metabolism 1itdecg3p 1-isotetradecanoyl-sn-glycerol 3-phosphate (12-methyl-tridecanoyl, iso-C14) C17H34O7P -1 02/07/2014 Glycerophospholipid metabolism 1m4phthpyro 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide C12H15NO 0 19/09/2018 Xenobiotics metabolism 1mncam 1-methylnicotinamide C7H9N2O 1 C02918 457 16797 LDHMAVIPBRSVRG-UHFFFAOYSA-O HMDB00699 02/07/2014 NAD metabolism 1mpyr 1-methylpyrrolinium C5H10N 1 C06178 440932 27435 FDWZAOGDOVQOLD-UHFFFAOYSA-N HMDB0060253 02/07/2014 Alkaloid synthesis 1murt 1-Methyluric acid C6H6N4O3 0 19/09/2018 Caffeine metabolism 1mxnthn 1-Methylxanthine C6H6N4O2 0 19/09/2018 Caffeine metabolism 1naldh 1-Naphthaldehyde C11H8O 0 19/09/2018 Miscellaneous 1odec11eg3p 1-octadec-11-enoyl-sn-glycerol 3-phosphate C21H39O7P1 -2 02/07/2014 Glycerophospholipid metabolism 1odecg3p 1-octadecanoyl-sn-glycerol 3-phosphate C21H41O7P1 -2 02/07/2014 Cell wall biosynthesis 1oh Primary alcohol CH3OR 0 19/09/2018 Miscellaneous 1ohmdz 1-OH-midazolam C18H13ClFN3O C18H13ClFN3O 0 02/07/2014 Drug metabolism 1ometmistl 1-O-Methyl-myo-inositol C7H14O6 0 19/09/2018 Methionine and cysteine metabolism 1p2cbxl 1-pyrroline-2-carboxylate C5H6NO2 -1 C03564 440046 36761 RHTAIKJZSXNELN-UHFFFAOYSA-M HMDB06875 02/07/2014 Arginine and proline metabolism 1p3h5c L-1-Pyrroline-3-hydroxy-5-carboxylate C5H6NO3 -1 C04281 1059 6151 WFOFKRKDDKGRIK-IUYQGCFVSA-M HMDB01369 02/07/2014 Arginine and proline metabolism 1p4h2cbxl 1-Pyrroline-4-hydroxy-2-carboxylate C5H7NO3 C5H6NO3 -1 HMDB02234 02/07/2014 Arginine and proline metabolism 1padglcnt 1-Phospho-alpha-D-glucuronate C6H9O10P -2 19/09/2018 Pentose and glucuronate interconversions 1pdmi45bp 1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate C11H16O19P3R2 -3 04/10/2018 1pipdn2c 1-piperideine-2-carboxylate C6H9NO2 0 C04092 1194 30912 GEJXSVNGWOSZPC-UHFFFAOYSA-N HMDB01084 02/07/2014 Lysine metabolism 1pyr5c 1-Pyrroline-5-carboxylate C5H6NO2 -1 C03912 1196 1372 DWAKNKKXGALPNW-UHFFFAOYSA-M HMDB01301 02/07/2014 Arginine and proline metabolism 1tdec7eg3p 1-tetradec-7-enoyl-sn-glycerol 3-phosphate C17H31O7P1 -2 02/07/2014 Glycerophospholipid metabolism 1tdecg3p 1-tetradecanoyl-sn-glycerol 3-phosphate C17H33O7P1 -2 02/07/2014 Cell wall biosynthesis 20ahchsterol 20-hydroxycholesterol C27H46O2 0 C05500 440711 1296 MCKLJFJEQRYRQT-APGJSSKUSA-N HMDB06283 02/07/2014 Bile acid synthesis 21hprgnlone 21-Hydroxypregnenolone C21H32O3 0 MOIQRAOBRXUWGN-ANWDBCJUSA-N 03/01/2017 Steroid metabolism 23boggnglyc1p 2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate C43H72O6P -1 19/09/2018 Geraniol degradation 23camp 2,3-Cyclic AMP C10H11N5O6P -1 02/07/2014 Nucleotide interconversion 23ccmp 2,3-Cyclic CMP C9H11N3O7P -1 02/07/2014 Nucleotide interconversion 23cgmp 2,3-Cyclic GMP C10H11N5O7P -1 02/07/2014 Nucleotide interconversion 23cump 2,3-cyclic UMP(1-) C9H10N2O8P -1 C02355 439715 28637 HWDMHJDYMFRXOX-XVFCMESISA-M HMDB0011640 02/07/2014 Miscellaneous 23d23d4cbiphe cis-2,3-Dihydro-2,3-dihydroxy-4-chlorobiphenyl C12H11O2Cl 0 19/09/2018 Dioxin degradation 23d23dbiphe cis-2,3-Dihydro-2,3-dihydroxybiphenyl C12H12O2 0 19/09/2018 Dioxin degradation 23d23dpcmt cis-2,3-Dihydroxy-2,3-dihydro-p-cumate C10H13O4 -1 19/09/2018 Xenobiotics metabolism 23damnppn L-2,3-Diaminopropanoate C3H8N2O2 0 19/09/2018 Oxalate metabolism 23dappa 2,3-diaminopropionate C3H9N2O2 1 02/07/2014 Beta-alanine metabolism 23ddhb 2,3-Dihydro-2,3-dihydroxybenzoate C7H7O4 -1 02/07/2014 Biosynthesis of siderophore group nonribosomal peptides 23dh1i56dio 2,3-Dihydro-1H-Indole-5,6-Dione C8H7NO2 0 XDEURYRPQDIBSL-UHFFFAOYSA-N 03/01/2017 Tyrosine metabolism 23dh4cbiphe 2,3-Dihydroxy-4-chlorobiphenyl C12H9O2Cl 0 19/09/2018 Xenobiotics metabolism 23dhb 2,3-Dihydroxybenzoate C7H5O4 -1 HMDB00397 02/07/2014 Biosynthesis of siderophore group nonribosomal peptides 23dhba (2,3-Dihydroxybenzoyl)adenylate C17H17N5O10P -1 02/07/2014 Others 23dhbzs 2,3-dihydroxybenzoylserine C10H10NO6 -1 02/07/2014 23dhbzs2 2-3-dihydroxybenzoylserine dimer C20H20N2O11 0 02/07/2014 23dhbzs3 2-3-dihydroxybenzoylserine trimer C30H29N3O16 0 02/07/2014 23dhdp 2,3-Dihydrodipicolinate C7H5NO4 -2 HMDB0012247 02/07/2014 Lysine metabolism 23dhgosptn 2,3-Dihydrogossypetin C15H12O8 C15H12O8 0 C03052 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 23dhmb (R)-2,3-Dihydroxy-3-methylbutanoate C5H9O4 -1 HMDB0012141 02/07/2014 Valine, leucine, and isoleucine metabolism 23dhmp (R)-2,3-Dihydroxy-3-methylpentanoate C6H11O4 -1 HMDB0012140 02/07/2014 Valine, leucine, and isoleucine metabolism 23dm5pqnl 2,3-Dimethyl-5-phytylquinol C28H48O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 23dmthmlet 2,3-Dimethylmaleate C6H6O4 -2 19/09/2018 Nicotine degradation 23dmthmlt 2,3-Dimethylmalate C6H8O5 -2 19/09/2018 Nicotine degradation 23doguln (4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate C6H7O7 -1 C04575 53477844 15622 GJQWCDSAOUMKSE-STHAYSLISA-M HMDB06511 02/07/2014 Pentose and glucuronate interconversions 23dpg 2,3-bisphosphonato-D-glycerate(5-) C3H3O10P2 -5 C01159 186004 17720 XOHUEYCVLUUEJJ-UWTATZPHSA-I HMDB01294 02/07/2014 Glycolysis/gluconeogenesis 23esucc trans-2,3-Epoxysuccinate C4H2O5 -2 19/09/2018 Glyoxylate and dicarboxylate metabolism 2425dhvitd2 24R,25-Dihyoxyvitamin D2 C28H44O3 0 BPEQZNMKGFTMQE-XIMRHTDJSA-N 02/07/2014 Vitamin D metabolism 2425dhvitd3 (24R)-24,25-dihydroxycalciol C27H44O3 0 C07712 5281059 28818 FCKJYANJHNLEEP-XRWYNYHCSA-N HMDB0060508 02/07/2014 Vitamin D metabolism 24dchlphe 2,4-Dichlorophenol C6H4OCl2 0 19/09/2018 Xenobiotics metabolism 24dhacphn 2,4-Dihydroxyacetophenone C8H8O3 0 19/09/2018 Xenobiotics metabolism 24dhhed 2,4-Dihydroxyhept-2-enedioate C7H10O6 C7H8O6 -2 C06201 58936 02/07/2014 Tyrosine metabolism 24dmpntn 2,4-Diaminopentanoate C5H13N2O2 1 19/09/2018 D-Arginine and D-ornithine metabolism 24dnpsg 2,4-dinitrophenyl-S-glutathione X 0 02/07/2014 24k3DoFcnt 2,4-Diketo-3-deoxy-L-fuconate C6H8O5 C6H8O5 0 C20781 29/03/2017 24mcartnl 24-Methylenecycloartanol C31H52O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 24nph 2-hydroxy-4-nitrophenolate C6H5NO4 0 C02235 3505109 16318 XJNPNXSISMKQEX-UHFFFAOYSA-N HMDB02916 02/07/2014 Cytochrome metabolism 24pentdcoa 2,4-Pentadienoyl-CoA C26H40N7O17P3S C26H36N7O17P3S -4 10/06/2018 Valerate metabolism 256th56dhqln 2,5,6-Trihydroxy-5,6-dihydroquinoline C9H9NO3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 25aics (S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate C13H15N4O12P -4 C04823 160666 58443 NAQGHJTUZRHGAC-GYAZKSLVSA-J HMDB00797 02/07/2014 Purine synthesis 25d5o2a Muconolactone C6H6O4 C6H5O4 -1 02/07/2014 Benzoate degradation 25dahxnt 2,5-Diaminohexanoate C6H15N2O2 1 19/09/2018 Lysine metabolism 25daphoa4opm 2,5-Diamino-6-(5-triphosphoryl-3,4-trihydroxy-2-oxopentyl)- amino-4-oxopyrimidine C9H18N5O14P3 C9H14N5O14P3 -4 02/07/2014 25dcmucnt 2,5-Dichloro-cis,cis-muconate C6H2O4Cl2 -2 19/09/2018 Xenobiotics metabolism 25dhb 2,5-dihydroxybenzoate X -1 02/07/2014 25dhpp 2,5-Diamino-6-hydroxy-4-(5-phosphoribosylamino)-pyrimidine C9H14N5O8P -2 02/07/2014 Vitamin B2 metabolism 25dhpyr 2,5-Dihydroxypyridine C5H5NO2 0 19/09/2018 Nicotine degradation 25dkglcn 2,5-diketo-D-gluconate C6H7O7 -1 02/07/2014 Ascorbate and aldarate metabolism 25dop 2,5-Dioxopentanoate C5H6O4 C5H5O4 -1 HMDB0060365 02/07/2014 Arginine and proline metabolism 25dpiprzn 2,5-Dioxopiperazine C4H6N2O2 0 19/09/2018 Xenobiotics metabolism 25drapp 2,5-Diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5-phosphate C9H14N5O8P -2 02/07/2014 Vitamin B2 metabolism 25hvitd2 25-Hydroxyvitamin D2 C28H44O2 0 22833566 KJKIIUAXZGLUND-BJWBXCNSSA-N HMDB01438 02/07/2014 Vitamin D metabolism 25hvitd3 calcidiol C27H44O2 0 C01561 5283731 17933 JWUBBDSIWDLEOM-DTOXIADCSA-N HMDB03550 02/07/2014 Vitamin D metabolism 26dap_LL LL-2,6-Diaminoheptanedioate C7H14N2O4 0 1549101 HMDB01370 02/07/2014 Lysine metabolism 26dap_M meso-2,6-Diaminoheptanedioate C7H14N2O4 0 C00680 3949 HMDB01370 02/07/2014 Cell wall biosynthesis 26dhcychex1cbxlcoa 2,6-Dihydroxycyclohexane-1-carboxyl-CoA C28H46N7O19P3S C28H42N7O19P3S -4 C09824 01/07/2019 Benzoate degradation 26dhponctn 2,6-Dihydroxypseudooxynicotine C10H15N2O3 1 19/09/2018 Nicotine degradation 26dhpy 2,6-Dihydroxypyridine C5H5NO2 0 19/09/2018 Nicotine degradation 26do6ph3e 2,6-Dioxo-6-phenylhexa-3-enoate C12H9O4 -1 19/09/2018 Dioxin degradation 26do6phexnt 2,6-Dioxo-6-phenylhexanoate C12H11O4 C12H11O4 -1 19/09/2018 Xenobiotics metabolism 27mthmlt 2-(7-Methylthio)heptylmalate C12H22O5S 0 19/09/2018 2a2mmnt 2-Aryl-2-methylmalonate C4H3O4R -2 19/09/2018 Xenobiotics metabolism 2a4opntn 2-Amino-4-oxopentanoate C5H9NO3 0 19/09/2018 D-Arginine and D-ornithine metabolism 2a5faprap 2-Amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one C10H15N5O9P -1 19/09/2018 Nucleotide interconversion 2a5ohexnt 2-Amino-5-oxohexanoate C6H11NO3 0 19/09/2018 Lysine metabolism 2aasng3p 2-Acetyl-1-alkyl-sn-glycero-3-phosphate C5H9O7PR -1 19/09/2018 Glycerophospholipid metabolism 2abut2en 2-Aminobut-2-enoate C4H7NO2 0 19/09/2018 Glycine, serine and threonine metabolism 2ac1asngpc 2-Acetyl-1-alkyl-sn-glycero-3-phosphocholine C10H21NO7PR 0 19/09/2018 Glycerophospholipid metabolism 2acamsucc 2-(Acetamidomethylene)succinate C7H7NO5 -2 C01215 08/03/2016 Vitamin B6 metabolism 2admasl3pg 2-(alpha-D-Mannosyl)-3-phosphoglycerate C9H15O12P -2 19/09/2018 Fructose and mannose metabolism 2aeppn 2-Aminoethylphosphonate C2H8NO3P C2H7NO3P -1 C03557 339 QQVDJLLNRSOCEL-UHFFFAOYSA-N NCCP(O)(O)=O HMDB0011747 02/07/2014 2agpe120 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C12:0) C17H36NO7P1 0 02/07/2014 Fatty acid oxidation 2agpe140 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:0) C19H40NO7P1 0 02/07/2014 Fatty acid oxidation 2agpe141 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1) C19H38NO7P1 0 02/07/2014 Fatty acid oxidation 2agpe160 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:0) C21H44NO7P1 0 02/07/2014 Cell wall biosynthesis 2agpe161 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:1) C21H42NO7P1 0 02/07/2014 Fatty acid oxidation 2agpe180 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:0) C23H48NO7P1 0 02/07/2014 Fatty acid oxidation 2agpe181 2-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:1) C23H46NO7P1 0 02/07/2014 Fatty acid oxidation 2agpg120 2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0) C18H36O9P1 -1 02/07/2014 Fatty acid oxidation 2agpg140 2-Acyl-sn-glycero-3-phosphoglycerol (n-C14:0) C20H40O9P1 -1 02/07/2014 Fatty acid oxidation 2agpg141 2-Acyl-sn-glycero-3-phosphoglycerol (n-C14:1) C20H38O9P1 -1 02/07/2014 Fatty acid oxidation 2agpg160 2-Acyl-sn-glycero-3-phosphoglycerol (n-C16:0) C22H44O9P1 -1 02/07/2014 Cell wall biosynthesis 2agpg161 2-Acyl-sn-glycero-3-phosphoglycerol (n-C16:1) C22H42O9P1 -1 02/07/2014 Fatty acid oxidation 2agpg180 2-Acyl-sn-glycero-3-phosphoglycerol (n-C18:0) C24H48O9P1 -1 02/07/2014 Fatty acid oxidation 2agpg181 2-Acyl-sn-glycero-3-phosphoglycerol (n-C18:1) C24H46O9P1 -1 02/07/2014 Fatty acid oxidation 2ahbut (S)-2-Aceto-2-hydroxybutanoate C6H9O4 -1 02/07/2014 Pyruvate metabolism 2ahhmd 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate C7H8N5O8P2 -3 02/07/2014 Folate metabolism 2ahhmp 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine C7H9N5O2 0 C01300 02/07/2014 Folate metabolism 2amac 2-aminoacrylic acid C3H5NO2 0 C02218 123991 17123 UQBOJOOOTLPNST-UHFFFAOYSA-N HMDB03609 02/07/2014 Glycine, serine, alanine, and threonine metabolism 2ameph (2-Aminoethyl)phosphonate C2H7NO3P -1 C03557 339 15573 QQVDJLLNRSOCEL-UHFFFAOYSA-M HMDB0011747 02/07/2014 Cell wall biosynthesis 2amnb4old 2-Aminobutan-4-olide C4H8NO2 1 19/09/2018 Methionine and cysteine metabolism 2amsa 2-Aminomalonate semialdehyde C3H5NO3 0 02/07/2014 Glycine, serine, alanine, and threonine metabolism 2aobut L-2-amino-3-oxobutanoic acid C4H7NO3 0 C03508 440033 40673 SAUCHDKDCUROAO-VKHMYHEASA-N HMDB06454 02/07/2014 Glycine, serine, alanine, and threonine metabolism 2aphenl 2-Aminophenol C6H7NO 0 19/09/2018 Tryptophan metabolism 2appnt 2-Arylpropionate C3H4O2R C3H4O2R -1 19/09/2018 Xenobiotics metabolism 2beacp But_2_enoyl_acyl_carrier_protein C4H4OX 0 02/07/2014 2butnt 2-Butenoate C4H5O2 C4H5O2 -1 19/09/2018 Butanoate metabolism 2c23dh56dhoxin 2-Carboxy-2,3-dihydro-5,6-dihydroxyindole C9H8NO4 -1 C05604 161255 60872 JDWYRSDDJVCWPB-LURJTMIESA-M HMDB04067 02/07/2014 Tyrosine metabolism 2c25dh5of2a 2-Chloro-2,5-dihydro-5-oxofuran-2-acetate C6H4O4Cl -1 19/09/2018 Chlorocyclohexane and chlorobenzene degradation 2c25dho 2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate C7H6O6 C7H4O6 -2 C01278 4497 16993 02/07/2014 Benzoate degradation 2c4mthzep 2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate C7H10NO6PS C7H7NO6PS -3 C20246 12/07/2018 Thiamine metabolism 2chatzn 2-Chloro-4-hydroxy-6-amino-1,3,5-triazine C3H3N4OCl 0 19/09/2018 Atrazine degradation 2chdeacp cis_Hexadec_2_enoyl_acyl_carrier_protein C16H28OX 0 02/07/2014 Fatty acid oxidation 2cmcnt 2-Chloro-cis,cis-muconate C6H3O4Cl -2 19/09/2018 Benzoate degradation 2cocdacp cis_Octadec_2_enoyl_acyl_carrier_protein C18H32OX 0 02/07/2014 Fatty acid oxidation 2coum cis-2-coumarate C9H7O3 -1 C05838 5280841 28873 PMOWTIHVNWZYFI-WAYWQWQTSA-M HMDB0041592 02/07/2014 Stilbene, coumarine and lignin synthesis 2cpr5p 1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate C12H13NO9P -3 02/07/2014 Tryptophan metabolism 2ctdeacp cis_Tetradec_2_enoyl_acyl_carrier_protein C14H24OX 0 02/07/2014 Fatty acid oxidation 2d3dxylt 2-Dehydro-3-deoxy-D-xylonate C5H8O5 C5H7O5 -1 02/07/2014 Pentose and glucuronate interconversions 2d3ksciam 2-Deoxy-3-keto-scyllo-inosamine C6H11NO4 C6H12NO4 1 02/07/2014 Neomycin, kanamycin and gentamicin biosynthesis 2dda7p 2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate C7H10O10P -3 02/07/2014 Phenylalanine metabolism 2ddecdicoa 2,6-dodecadienoylcoa C33H50N7O17P3S -4 C05279 53480665 BNPQDIKRZDRREL-GQUYLXGASA-J HMDB11123 02/07/2014 Fatty acid oxidation 2ddecg3p 2-dodecanoyl-sn-glycerol 3-phosphate C15H30O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2ddg6p 2-Dehydro-3-deoxy-D-gluconate 6-phosphate C6H8O9P -3 02/07/2014 Pentose and glucuronate interconversions 2ddglcn 2-Dehydro-3-deoxy-D-gluconate C6H9O6 -1 C00204 3504 02/07/2014 Pentose and glucuronate interconversions 2ddpent 2-Dehydro-3-deoxy-L-pentonate C5H8O5 C5H7O5 -1 02/07/2014 Ascorbate and aldarate metabolism 2decdicoa 2,7-decadienoylcoa C31H46N7O17P3S -4 CDCJVILOANYHMI-CPAJBTEKSA-J 02/07/2014 Fatty acid oxidation 2dg 2-deoxy-D-glucose C6H12O5 0 02/07/2014 Starch and sucrose metabolism 2dg6p 2-deoxy-D-glucose 6-phosphate C6H13O8P -2 02/07/2014 2dglcn 2-Deoxy-D-gluconate C6H11O6 -1 02/07/2014 Pentose and glucuronate interconversions 2dh2dofnt 2-Dehydro-3-deoxy-D-fuconate C6H9O5 -1 19/09/2018 N-glycan degradation 2dh3dgal 2-Dehydro-3-deoxy-D-galactonate C6H9O6 -1 02/07/2014 Galactose metabolism 2dh3dgal6p 2-Dehydro-3-deoxy-D-galactonate 6-phosphate C6H8O9P -3 02/07/2014 Galactose metabolism 2dh3dglc 2-Dehydro-3-deoxy-D-glucarate C6H8O7 C6H6O7 -2 02/07/2014 Ascorbate and aldarate metabolism 2Dh3DoFcnt 2-Dehydro-3-deoxy-L-fuconate C6H10O5 C6H10O5 0 C03827 29/03/2017 O-glycan degradation 2dhglcn 2-Dehydro-D-gluconate C6H9O7 -1 02/07/2014 Pentose and glucuronate interconversions 2dhguln 2-Dehydro-L-gulonate C6H9O7 -1 02/07/2014 Ascorbate and aldarate metabolism 2dhp 2-Dehydropantoate C6H9O4 -1 02/07/2014 CoA synthesis 2dhphaccoa 1,2-Dihydroxy-1,2-dihydrophenylacetyl-CoA X 0 02/07/2014 2dmmq10 2-Demethylmenaquinone 10 C60H86O2 0 C05818 02/07/2014 2dmmq11 2-Demethylmenaquinone 11 C65H94O2 0 C05818 02/07/2014 2dmmq6 2-Demethylmenaquinone 6 C40H54O2 0 17/07/2015 2dmmq7 2-Demethylmenaquinone 7 C45H62O2 0 C05818 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2dmmq8 2-Demethylmenaquinone 8 C50H70O2 0 02/07/2014 Citric acid cycle 2dmmq9 2-Demethylmenaquinone 9 C55H78O2 0 C05818 02/07/2014 2dmmql10 2-Demethylmenaquinol 10 C60H88O2 0 02/07/2014 2dmmql11 2-Demethylmenaquinol 11 C65H96O2 0 02/07/2014 2dmmql7 2-Demethylmenaquinol 7 C45H64O2 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2dmmql8 2-Demethylmenaquinol 8 C50H72O2 0 02/07/2014 Citric acid cycle 2dmmql9 2-Demethylmenaquinol 9 C55H80O2 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2do5hmc5dp 2-Deoxy-5-hydroxymethylcytidine-5-diphosphate C10H15N3O11P2 -2 19/09/2018 Pyrimidine catabolism 2do5hmc5p 2-Deoxy-5-hydroxymethylcytidine 5-phosphate C10H14N3O8P C10H15N3O8P -1 19/09/2018 Pyrimidine catabolism 2do5hmc5tp 2-Deoxy-5-hydroxymethylcytidine-5-triphosphate C10H15N3O14P3 -3 19/09/2018 Pyrimidine catabolism 2docohexecoa 2,7,10,13,16,19-docosahexenoylcoa C43H62N7O17P3S -4 HGVXUTAEZALTIG-XHTFRJCKSA-J 02/07/2014 Fatty acid oxidation 2docopencoa 2,7,10,13,16-docosapentenoylcoa C43H64N7O17P3S -4 XSIBQUOFLNIVEK-XPBIURITSA-J 02/07/2014 Fatty acid oxidation 2dodtricoa 2,6,9-dodecatrienoylcoa C33H48N7O17P3S -4 XGHIPSZYSVQIHM-JHHAAFDISA-J 02/07/2014 Fatty acid oxidation 2doglu 2-deoxygluconate C6H12O6 0 02/07/2014 2dosamn 2-Deoxystreptamine antibiotic C6H12N2O3R2 0 19/09/2018 Xenobiotics metabolism 2doxg6p 2-Deoxy-D-glucose 6-phosphate C6H12O8P -1 19/09/2018 Starch and sucrose metabolism 2dp6mep 2-Decaprenyl-6-methoxyphenol C57H88O2 0 50774 FYLLWSGFAAQKHU-GBBROCKZSA-N HMDB0060250 02/07/2014 Ubiquinone synthesis 2dp6mobq 2-decaprenyl-6-methoxy-1,4-benzoquinone C57H86O3 0 50773 POYJNCVGTDCCPK-RDSVHMIISA-N HMDB0060248 02/07/2014 Ubiquinone synthesis 2dp6mobq_me 2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone C58H88O3 0 50772 DLBRMPAESNEOJM-RGIWONJESA-N HMDB0060251 02/07/2014 Ubiquinone synthesis 2dpmhobq 2-decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone C58H88O4 0 50771 ONGWDJKIJUAIOD-AVRCVIBKSA-N HMDB06484 02/07/2014 Ubiquinone synthesis 2dr1p 2-Deoxy-D-ribose 1-phosphate C5H9O7P -2 C00672 439287 28542 KBDKAJNTYKVSEK-PYHARJCCSA-L HMDB01351 02/07/2014 Nucleotide interconversion 2dr5p 2-deoxy-D-ribose 5-phosphate(2-) C5H9O7P -2 C00673 45934311 16132 KKZFLSZAWCYPOC-PYHARJCCSA-L HMDB01031 02/07/2014 Pentose phosphate pathway 2dsciam 2-Deoxy-scyllo-inosamine C6H13NO4 C6H14NO4 1 02/07/2014 Neomycin, kanamycin and gentamicin biosynthesis 2fbnzt 2-Fluorobenzoate C7H4O2F -1 19/09/2018 Fluorobenzoate degradation 2fch1c 2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H6O4F -1 19/09/2018 Fluorobenzoate degradation 2fmcnt 2-Fluoro-cis,cis-muconate C6H3O4F -2 19/09/2018 Fluorobenzoate degradation 2fuclac 2-Fucosyllactose (HMO, PMID:11425797) C18H32O15 C18H32O15 0 G00268 02/07/2014 2h3cbenzalpyr 2-Hydroxy-3-carboxybenzalpyruvate C11H6O6 -2 C14095 01/07/2019 Naphthalene degradation 2h3mb 2_hydroxy_3_methyl_butanoate C6H8O6PS 0 02/07/2014 2h3mbenzalpyr 2-Hydroxy-3-methylbenzalpyruvate C11H9O4 -1 C14086 01/07/2019 Naphthalene degradation 2h3mp 2_hydroxy_3_methyl_pentanoate C6H8O6PS 0 02/07/2014 2h3mv 2-Hydroxy-3-Methyl-Valerate C6H11O3 -1 RILPIWOPNGRASR-RFZPGFLSSA-M 03/01/2017 Valine, leucine, and isoleucine metabolism 2h3oapt 2-Hydroxy-3-oxoadipate C6H8O6 C6H6O6 -2 19/09/2018 Glyoxylate and dicarboxylate metabolism 2h3oppan 2-Hydroxy-3-oxopropanoate C3H3O4 -1 HMDB06938 02/07/2014 Ascorbate and aldarate metabolism 2h4hmbenzalpyr 2-Hydroxy-4-hydroxymethylbenzalpyruvate C11H9O5 -1 C14107 01/07/2019 Naphthalene degradation 2h4iphex1cbxlcoa 2-Hydroxy-4-isopropenylcyclohexane-1-carboxyl-CoA C31H46N7O18P3S -4 C11934 01/07/2019 Limonene and pinene degradation 2h5cmmusa 2-Hydroxy-5-carboxymethylmuconate-Semialdehyde C8H8O6 C8H6O6 -2 58030 02/07/2014 2h5mmsaldh 2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde C7H7O4 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2h6oh24dnt 2-Hydroxy-6-oxo-hept-2,4-dienoate C7H7O4 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hatvacid 2-hydroxy-atorvastatin-acid / ortho-hydroxy-atorvastatin acid C33H35FN2O6 C33H34FN2O6 -1 02/07/2014 Drug metabolism 2hatvacidgluc 2-hydroxy-atorvastatin-acyl-glucuronide C39H43FN2O12 C39H42FN2O12 -1 02/07/2014 Drug metabolism 2hatvlac 2-hydroxy-atorvastatin-lactone / ortho-hydroxy-atorvastatin lactone C33H33FN2O5 C33H33FN2O5 0 02/07/2014 Drug metabolism 2hatvlacgluc 2-hydroxy-atorvastatin-lactone-glucuronide C39H41FN2O11 C39H40FN2O11 -1 02/07/2014 Drug metabolism 2hb 2-Hydroxybutyrate C4H7O3 -1 C05984 11266 1148 AFENDNXGAFYKQO-UHFFFAOYSA-M HMDB00008 02/07/2014 Propanoate metabolism 2hbiphe 2-Hydroxybiphenyl C12H10O 0 19/09/2018 Xenobiotics metabolism 2hbnzlfrmt 4-Hydroxybenzoylformate C8H5O4 -1 19/09/2018 Xenobiotics metabolism 2hc 2-Hydroxy carboxylate C2H2O3R -1 19/09/2018 Pyruvate metabolism 2hchd 2-Hydroxy-cis-hex-2,4-dienoate C6H7O3 -1 C11354 01/07/2019 Benzoate degradation 2hcomd 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate C10H10O6 -2 19/09/2018 Xylene degradation 2hcych1cbxlcoa (2-Hydroxycyclohexane-1-carboxyl-CoA C28H46N7O18P3S C28H42N7O18P3S -4 C09812 01/07/2019 Xenobiotics metabolism 2hdec9eg3p 2-hexadec-9-enoyl-sn-glycerol 3-phosphate C19H36O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2hdecg3p 2-hexadecanoyl-sn-glycerol 3-phosphate C19H38O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2hdhdzn 2-Hydroxydihydrodaidzein C15H12O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hdhgstn 2-Hydroxy-2,3-dihydrogenistein C15H12O6 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hdzn 2-Hydroxydaidzein C15H10O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hexdtetcoa 2,7,10,13-hexadecatetraenoylcoa C37H54N7O17P3S -4 GIKPDPXCUAJUFG-AZKNSBQASA-J 02/07/2014 Fatty acid oxidation 2hexdtricoa 2,7,10-hexadecatrienoylcoa C37H56N7O17P3S -4 WJHWJZSGWIEAAU-YLEUZIDYSA-J 02/07/2014 Fatty acid oxidation 2hh24dd 2-Hydroxyhepta-2-4-dienedioate C7H8O5 C7H6O5 -2 C05600 7923 78626 02/07/2014 Tyrosine metabolism 2hhmbaldh 2-Hydroxy-4-hydroxymethyl-benzaldehyde C8H8O3 0 C14108 19/09/2018 Naphthalene degradation 2hibup_R 2-hydroxy-R-ibuprofen C13H18O3 C13H17O3 -1 HMDB0060920 02/07/2014 Drug metabolism 2hibup_S 2-hydroxy-S-ibuprofen C13H18O3 C13H17O3 -1 HMDB0060920 02/07/2014 Drug metabolism 2hibupglu_S 2-hydroxy S-ibuprofen-glucuronide C19H26O9 C19H25O9 -1 02/07/2014 Drug metabolism 2hiv 2-Hydroxy-Isovalerate C5H9O3 -1 NGEWQZIDQIYUNV-UHFFFAOYSA-M 03/01/2017 Valine, leucine, and isoleucine metabolism 2hm3amlsucc 2-(Hydroxymethyl)-3-(acetamidomethylene)succinate C8H9NO6 -2 19/09/2018 Vitamin B6 metabolism 2hmc 2-Hydroxymuconate C6H6O5 C6H4O5 -2 02/07/2014 Benzoate degradation 2hmnp 2-Hydroxymethylnaphthalene C11H10O 0 19/09/2018 Miscellaneous 2hmsa 2-Hydroxymuconate semialdehyde C6H5O4 -1 19/09/2018 Benzoate degradation 2hoaphd 2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-2,4-dienoate C12H10NO4 -1 19/09/2018 Xenobiotics metabolism 2hobtc 2-Hydroxy-4-oxobutane-1,2,4-tricarboxylate C7H5O8 -3 19/09/2018 Benzoate degradation 2hohdnt 2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate C13H8O6 -2 19/09/2018 Xenobiotics metabolism 2homd 2-Hydroxy-6-oxo-7-methylocta-2,4-dienoate C9H11O4 -1 19/09/2018 Xylene degradation 2hood 2-Hydroxy-6-oxo-octa-2,4-dienoate C8H9O4 -1 19/09/2018 Xenobiotics metabolism 2hotnt 2-Hydroxy-6-oxoocta-2,4,7-trienoate C8H7O4 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hp3m6m14bqn 2-Hexaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C38H56O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hp6hphe 2-Hexaprenyl-6-hydroxyphenol C36H54O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hp6m14bqn 2-Hexaprenyl-6-methoxy-1,4-benzoquinone C37H54O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hp6mphe 2-Hexaprenyl-6-methoxyphenol C37H56O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2hxic_L 2-Hydroxy-Isocaproate C6H11O3 -1 LVRFTAZAXQPQHI-UHFFFAOYSA-M 02/07/2014 2hxmp 2__Hydroxymethyl_phenol C7H8O2 0 02/07/2014 2hydog 2-hydroxyglutarate C5H8O5 C5H6O5 -2 HWXBTNAVRSUOJR-UHFFFAOYSA-L 02/07/2014 Butanoate metabolism 2hydogcoa 2-hydroxyglutaryl-CoA C26H42N7O20P3S C26H38N7O20P3S -4 C03058 11966206 24/02/2015 Butanoate metabolism 2hymeph 2-(Hydroxymethyl)phenol C7H8O2 0 C06191 HMDB0059709 02/07/2014 Glycolysis/gluconeogenesis 2hyoxplac 2-Hydroxyphenylacetate C8H7O3 -1 C05852 11970 28478 CCVYRRGZDBSHFU-UHFFFAOYSA-M HMDB00669 02/07/2014 Phenylalanine metabolism 2ins 2-Inosose C6H10O6 0 02/07/2014 Inositol phosphate metabolism 2ippcoa 3-Isopropenylpimelyl-CoA C31H46N7O19P3S -4 19/09/2018 Xenobiotics metabolism 2ippm 2-Isopropylmaleate C7H8O4 -2 HMDB0012241 02/07/2014 Valine, leucine, and isoleucine metabolism 2kmb 2-keto-4-methylthiobutyrate C5H7O3S -1 C01180 473 33574 SXFSQZDSUWACKX-UHFFFAOYSA-M HMDB01553 02/07/2014 Arginine and proline metabolism 2m1hbtpp 2-Methyl-1-hydroxybutyl-TPP C17H29N4O8P2S C17H26N4O8P2S -2 C15978 23724627 CUBSXOWPMAOFDG-MYHCZTBNSA-O HMDB0012310 02/07/2014 Valine, leucine, and isoleucine metabolism 2m1hptpp 2-Methyl-1-hydroxypropyl-TPP C16H27N4O8P2S C16H24N4O8P2S -2 HMDB06866 02/07/2014 Valine, leucine, and isoleucine metabolism 2m3hbu 2-Methyl-3-Hydroxy-Butyrate C5H9O3 -1 VEXDRERIMPLZLU-UHFFFAOYSA-M 03/01/2017 Valine, leucine, and isoleucine metabolism 2m3hppa 2-methyl-3-hydroxypropionic acid X -1 02/07/2014 2m3hvac 2-Methyl-3-Hydroxy-Valerate C6H11O3 -1 NVIHALDXJWGLFD-UHFFFAOYSA-M 03/01/2017 Propanoate metabolism 2m3ovac 2-Methyl-3-Oxo-Valerate C6H9O3 -1 QTLYPQZWYOHATR-UHFFFAOYSA-M 03/01/2017 Propanoate metabolism 2m3ovcoa 2-Methyl-3-Oxo-Valeryl Coenzyme A C27H40N7O18P3S -4 KQGBVZCGKIYZSZ-UHFFFAOYSA-J 03/01/2017 Propanoate metabolism 2m6pqnl 2-Methyl-6-phytylquinol C27H46O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2maacoa 2-methylacetoacetyl-CoA(4-) C26H38N7O18P3S -4 C03344 53 15476 NHNODHRSCRALBF-NQNBQJKNSA-J HMDB01157 02/07/2014 Fatty acid synthesis 2mahmp 2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate C6H8N3O7P2 -3 02/07/2014 Thiamine metabolism 2mb_p 2_methylbutanoyl_p C6H8N3O7P2 0 02/07/2014 2mb2coa 2-methylcrotonoyl-CoA(4-) C26H38N7O17P3S -4 C03345 5280564 57337 PMWATMXOQQZNBX-SMRBIBNPSA-J HMDB02054 02/07/2014 Fatty acid oxidation 2mba 2_methyl_butanoic_acid X 0 02/07/2014 2mbal 2_Methylbutanal X 0 02/07/2014 2mbald 2-methylbutyraldehyde C5H10O 0 06/12/2018 Valine, leucine, and isoleucine metabolism 2mbaldh 2-Methylbenzaldehyde C8H8O 0 19/09/2018 Xylene degradation 2mbcoa 2-methylbutanoyl-CoA(4-) C26H40N7O17P3S -4 C01033 439371 15477 LYNVNYDEQMMNMZ-XGXNYEOVSA-J HMDB01041 02/07/2014 Fatty acid synthesis 2mbnzt 2-Methylbenzoic acid C8H7O2 -1 19/09/2018 Xenobiotics metabolism 2mboh 2-Methylbenzyl alcohol C8H10O 0 19/09/2018 Xylene degradation 2mbol 2_methylbutanol X 0 02/07/2014 2mbut 2-methylbutyrate C5H10O2 C5H9O2 -1 C18319 8314 WLAMNBDJUVNPJU-UHFFFAOYSA-N HMDB02176 26/03/2015 Stickland reaction 2mbutACP 2-methylbutanoyl-ACP,2-methylbutyryl-ACP C16H29N2O8PRS -1 02/07/2014 Fatty acid synthesis 2mcacn (Z)-but-2-ene-1,2,3-tricarboxylate C7H5O6 -3 C04225 3080625 16717 NUZLRKBHOBPTQV-ARJAWSKDSA-K HMDB06357 02/07/2014 Propanoate metabolism 2mchln 2-Methylcholine C6H16NO C6H16NO 1 19/09/2018 Fatty acid oxidation 2mcit 2-methylcitrate(3-) C7H7O7 -3 515 30835 YNOXCRMFGMSKIJ-UHFFFAOYSA-K HMDB00379 02/07/2014 Propanoate metabolism 2me4p 2-C-methyl-D-erythritol 4-phosphate C5H11O7P -2 02/07/2014 Terpenoid backbone biosynthesis 2mecdp 2-C-methyl-D-erythritol 2,4-cyclodiphosphate C5H10O9P2 -2 02/07/2014 Others 2mhphdbnt 4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate C10H8NO5 -1 19/09/2018 Tryptophan metabolism 2miphd cis-2-Methyl-5-isopropylhexa-2,5-dienal C10H16O 0 19/09/2018 Limonene and pinene degradation 2miphdnt cis-2-Methyl-5-isopropylhexa-2,5-dienoic acid C10H15O2 -1 19/09/2018 Limonene and pinene degradation 2mmal (R)-2-Methylmalate C5H8O5 C5H6O5 -2 02/07/2014 Valine, leucine, and isoleucine metabolism 2mmale 2-Methylmaleate C5H6O4 C5H4O4 -2 HMDB00634 02/07/2014 Valine, leucine, and isoleucine metabolism 2mnptl 2-Methylnaphthalene C11H10 C11H10 0 02/07/2014 Naphthalene degradation 2mop 2-methyl-3-oxopropanoate C4H5O3 -1 C00349 296 16256 VOKUMXABRRXHAR-UHFFFAOYSA-M HMDB01172 02/07/2014 Alanine and aspartate metabolism 2mp2coa 2-Methylprop-2-enoyl-CoA C25H36N7O17P3S -4 C03460 440021 27754 NPALUEYCDZWBOV-NDZSKPAWSA-J HMDB01011 02/07/2014 Fatty acid synthesis 2mpa 2_methylpropanoic_acid X 0 02/07/2014 2mpal 2_methylpropanal X 0 02/07/2014 2mpdhl S-(2-Methylpropanoyl)-dihydrolipoamide C12H23NO2S2 0 C04424 11953835 17577 UEFURMXXHJCLJP-UHFFFAOYSA-N HMDB06868 02/07/2014 Miscellaneous 2mpol 2_methylpropanol X 0 02/07/2014 2mpropACP 2-methylpropionyl-ACP,isobutyryl-ACP C15H27N2O8PRS -1 02/07/2014 Fatty acid synthesis 2mproph 2-Methylpropanoyl phosphate C4H8O5P -1 19/09/2018 Propanoate metabolism 2naldh 2-Naphthaldehyde C11H8O 0 19/09/2018 Miscellaneous 2npthcoa 2-Naphthoyl-CoA C32H39N7O17P3S -3 19/09/2018 Xenobiotics metabolism 2o3mpt R__2_Oxo_3_methylpentanoate C6H9O3 0 02/07/2014 2o7mthnt 2-Oxo-7-methylthioheptanoic acid C8H14O3S 0 19/09/2018 Glucosinolate biosynthesis 2oaldh 2-Oxoaldehyde C2HO2R 0 19/09/2018 Miscellaneous 2obut 2-Oxobutanoate C4H5O3 -1 C00109 58 30831 TYEYBOSBBBHJIV-UHFFFAOYSA-M HMDB00005 02/07/2014 C5-branched dibasic acid metabolism 2oc 2-Oxocarboxylate C2O3R -1 19/09/2018 Arginine and proline metabolism 2octdectecoa 2,6,9,12-octadecatetraenoylcoa C39H58N7O17P3S -4 ARCCYNRJAHXWRR-BLHYBTKNSA-J 02/07/2014 Fatty acid oxidation 2octpencoa 2,6,9,12,15-octadecapentenoylcoa C39H56N7O17P3S -4 PDRIJPFVKOBYQM-OXYAKQEASA-J 02/07/2014 Fatty acid oxidation 2odec11eg3p 2-octadec-11-enoyl-sn-glycerol 3-phosphate C21H40O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2odecg3p 2-octadecanoyl-sn-glycerol 3-phosphate C21H42O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2oh Secondary alcohol CH2OR2 0 19/09/2018 Miscellaneous 2oh_cbz 2-Hydroxycarbamazepine C15H12N2O2 C15H12N2O2 0 C16601 129274 01/03/2019 Drug metabolism 2oh_cbz_glc 2-Hydroxy Carbamazepine Glucuronide C21H20N2O8 C21H19N2O8 -1 71748920 01/03/2019 Drug metabolism 2oh_mtz 2-Hydroxymetronidazole C6H9N3O4 C6H9N3O4 0 01/03/2019 Drug metabolism 2oh_mtz_glc 2-Hydroxymetronidazole Glucuronide C12H17N3O10 C12H16N3O10 -1 01/03/2019 Drug metabolism 2oh3d 2-Oxohept-3-ene-1,7-dioate C7H6O5 -2 02/07/2014 2ohed 2-Oxohept-3-ene-1,7-dioate C7H8O5 C7H6O5 -2 C03063 5963 1254 OC(=O)CC\C=C/C(=O)C(O)=O 02/07/2014 Others 2ohph 2-Octaprenyl-6-hydroxyphenol C46H70O2 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2ombz 2-Octaprenyl-6-methoxy-1,4-benzoquinone C47H70O3 0 02/07/2014 Cell wall biosynthesis 2ombzl 2-Octaprenyl-6-methoxy-1,4-benzoquinol C47H72O3 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2omfuc 2-o-methylfucose (rare sugar in rhamnogalacturonan II) C7H14O5 0 444792 02/07/2014 Plant polysaccharide degradation 2omhmbl 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol C48H74O4 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2ommb 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone C48H72O3 0 02/07/2014 Cell wall biosynthesis 2ommbl 2-Octaprenyl-3-methyl-6-methoxy- 1,4-benzoquinol C48H74O3 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2omph 2-Octaprenyl-6-methoxyphenol C47H72O2 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2omthpnt 2-Oxo-5-methylthiopentanoic acid C6H10O3S 0 19/09/2018 Glucosinolate biosynthesis 2omxyl 2-O-methylxylose (rare sugar in rhamnogalacturonan II) C6H12O5 0 02/07/2014 Plant polysaccharide degradation 2oph 2-Octaprenylphenol C46H70O 0 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2oscnmt 2-Oxosuccinamate C4H5NO4 C4H4NO4 -1 19/09/2018 Alanine and aspartate metabolism 2oxht4en 2-Oxohex-trans-4-enoate C6H8O3 C6H7O3 -1 C06761 01/07/2019 Benzoate degradation 2oxoadp 2-oxoadipate(2-) C6H6O5 -2 C00322 71 15753 FGSBNBBHOZHUBO-UHFFFAOYSA-L HMDB00225 02/07/2014 Lysine biosynthesis 2p46dcxlt 2-Pyrone-4,6-dicarboxylate C7H2O6 -2 19/09/2018 Aminobenzoate degradation 2p4c2me 2-phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol C14H22N3O17P3 -4 02/07/2014 Terpenoid backbone biosynthesis 2pcphlrgcxl 2-Protocatechoylphloroglucinolcarboxylate C14H9O8 C14H9O8 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2pentcoa 2-pentenoyl-CoA C26H42N7O17P3S C26H38N7O17P3S -4 20/06/2018 Valerate metabolism 2pg D-Glycerate 2-phosphate C3H4O7P -3 C00631 439278 17835 GXIURPTVHJPJLF-UWTATZPHSA-K HMDB03391 02/07/2014 Glycolysis/gluconeogenesis 2pglyc 2-phosphonatoglycolate(3-) C2H2O6P -3 C00988 529 17150 ASCFNMCAHFUBCO-UHFFFAOYSA-K HMDB00816 02/07/2014 Glyoxylate and dicarboxylate metabolism 2phpdmcmt 2-Phenyl-1,3-propanediol monocarbamate C10H13NO3 0 19/09/2018 Xenobiotics metabolism 2pntn 2-Pentanone C5H10O 0 19/09/2018 Xenobiotics metabolism 2ppoh Isopropanol C3H8O C3H8O 0 C01845 25/09/2019 Pyruvate metabolism 2ppp 2-Polyprenylphenol C16H22O 0 19/09/2018 Benzoate degradation 2qlnl 2-Quinolinol C9H7NO 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 2s5epchc 2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate C14H13O9 -3 C16519 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2shchc 2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate C11H10O6 -2 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 2tddacp trans_Dodec_2_enoyl_acyl_carrier_protein C12H20OX 0 02/07/2014 2tdeacp trans_Dec_2_enoyl_acyl_carrier_protein C10H16OX 0 02/07/2014 2tdec7eg3p 2-tetradec-7-enoyl-sn-glycerol 3-phosphate C17H32O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2tdecg3p 2-tetradecanoyl-sn-glycerol 3-phosphate C17H34O7P1 -1 02/07/2014 Glycerophospholipid metabolism 2thdeacp trans_Hexadec_2_enoyl_acyl_carrier_protein C16H28OX 0 02/07/2014 Fatty acid oxidation 2theacp trans_Hex_2_enoyl_acp C6H8OX 0 02/07/2014 2tocdacp trans_Octadec_2_enoyl_acyl_carrier_protein C18H32OX 0 02/07/2014 Fatty acid oxidation 2toceacp trans_Oct_2_enoyl_acp C8H12OX 0 02/07/2014 2tpr3dpcoa 2-(5-triphosphoribosyl)-3-dephospho-CoA C26H40N7O26P5S -6 02/07/2014 Others 2ttdeacp trans_Tetradec_2_enoyl_acyl_carrier_protein C14H24OX 0 02/07/2014 Fatty acid oxidation 2xchccoa 2-Oxocyclohexane-1-carbonyl-CoA C28H41N7O18P3S -3 19/09/2018 Xenobiotics metabolism 31dmt 31-DMT or M-II, 31-O-desmethyl tacrolimus C43H67NO12 C43H67NO12 0 02/07/2014 Drug metabolism 325dgh 3-deoxy-D-glycero-2,5-hexodiulosonate C6H8O6 0 02/07/2014 32ddog 3-dehydro-2-deoxy-D-gluconate X 0 02/07/2014 334dhpyrylala 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine C8H9N2O4 -1 19/09/2018 Glycine, serine, alanine, and threonine metabolism 33hmeoxobut 2-Oxo-3-hydroxyisovalerate C5H8O4 C5H7O4 -1 02/07/2014 Valine, leucine, and isoleucine metabolism 34dchlanln 3,4-Dichloroaniline C6H5NCl2 0 19/09/2018 Xenobiotics metabolism 34dchlphem N-(3,4-Dichlorophenyl)-malonamate C9H6NO3Cl2 -1 19/09/2018 Xenobiotics metabolism 34dh2hprl2c 3,4-Dihydro-2H-Pyrrole-2-carboxylate C5H6NO2 -1 19/09/2018 Arginine and proline metabolism 34dhahrdvn 3,4-Dihydroanhydrorhodovibrin C41H60O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 34dhb Protocatechuate C7H6O4 C7H5O4 -1 HMDB01856 02/07/2014 Aminobenzoate degradation 34dhcinm trans-caffeate C9H7O4 -1 C01197 689043 16433 QAIPRVGONGVQAS-DUXPYHPUSA-M HMDB03501 02/07/2014 Caffeine metabolism 34dhmald 3,4-Dihydroxymandelaldehyde C8H8O4 0 C05577 151725 27852 YUGMCLJIWGEKCK-UHFFFAOYSA-N HMDB06242 02/07/2014 Miscellaneous 34dhoxmand 3,4-Dihydroxymandelate C8H7O5 -1 C05580 85782 27637 RGHMISIYKIHAJW-UHFFFAOYSA-M HMDB01866 02/07/2014 Miscellaneous 34dhoxpeg 3,4-Dihydroxyphenylethyleneglycol C8H10O4 0 C05576 91528 1387 MTVWFVDWRVYDOR-UHFFFAOYSA-N HMDB00318 02/07/2014 Tyrosine metabolism 34dhpac 3,4-Dihydroxyphenylacetaldehyde C8H8O3 0 C04043 119219 27978 IADQVXRMSNIUEL-UHFFFAOYSA-N HMDB03791 02/07/2014 Tyrosine metabolism 34dhpacet 3-4-Dihydroxyphenylacetate C8H7O4 0 02/07/2014 Tyrosine metabolism 34dhpe 3,4-Dihydroxyphenylethanol C8H10O3 0 82755 JUUBCHWRXWPFFH-UHFFFAOYSA-N HMDB05784 03/01/2017 Tyrosine metabolism 34dhpha (3,4-dihydroxyphenyl)acetate C8H7O4 -1 C01161 547 41941 CFFZDZCDUFSOFZ-UHFFFAOYSA-M HMDB01336 02/07/2014 Tyrosine metabolism 34dhphe L-dopa C9H11NO4 0 C00355 6047 15765 WTDRDQBEARUVNC-LURJTMIESA-N HMDB00181 02/07/2014 Phenylalanine metabolism 34dhpyr 3,4-Dihydroxypyridine C5H5NO2 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism 34dhrdpn 3,4-Dehydrorhodopin C40H56O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 34dhrdvn 3,4-Dihydrorhodovibrin C41H62O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 34dhstyrn 3,4-Dihydroxystyrene C8H8O2 0 19/09/2018 Caffeine metabolism 34dhtm3c 3,4-Dehydrothiomorpholine-3-carboxylate C5H6NO2S -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 34hpl 3-(4-hydroxyphenyl)lactate C9H9O4 -1 C03672 9378 17385 JVGVDSSUAVXRDY-UHFFFAOYSA-M HMDB00755 02/07/2014 Ubiquinone synthesis 34hplac R__3__4_Hydroxyphenyl_lactate X 0 02/07/2014 34hpp 3-(4-hydroxyphenyl)pyruvate C9H7O4 -1 C01179 979 15999 KKADPXVIOXHVKN-UHFFFAOYSA-M HMDB00707 02/07/2014 Phenylalanine metabolism 35ccmp 3,5-Cyclic CMP (iMM904) C9H11N3O7P -1 C00941 08/03/2016 Pyrimidine catabolism 35cdamp 3__5__Cyclic_dAMP X 0 02/07/2014 35cgmp 3,5-cyclic GMP(1-) C10H11N5O7P -1 C00942 24316 16356 ZOOGRGPOEVQQDX-UUOKFMHZSA-M HMDB01314 02/07/2014 Nucleotide interconversion 35cimp 3__5__Cyclic_IMP X 0 02/07/2014 35cntd 3,5-Cyclic nucleotide C5H7O6PR -1 19/09/2018 Nucleotide interconversion 35dacap (3S,5S)-3,5-Diaminocaproate C6H14N2O2 C6H15N2O2 1 HMDB0012115 02/07/2014 Lysine metabolism 35dchlctcl 3,5-Dichlorocatechol C6H4O2Cl2 0 19/09/2018 Xenobiotics metabolism 35dhpaccoa 3,5-Dihydroxyphenylacetyl-CoA C29H39N7O19P3S -3 19/09/2018 Biosynthesis of vancomycin group antibiotics 35dhpgoxlt 3,5-Dihydroxyphenylglyoxylate C8H5O5 -1 19/09/2018 Biosynthesis of vancomycin group antibiotics 35dhpvs 3-alpha,5beta-dihydroxy-pravastatin / 3-alpha5beta6beta-trihydroxy pravastatin C23H35NaO9 C23H34NaO9 -1 02/07/2014 Drug metabolism 35diotyr 3,5-diiodo-L-tyrosine C9H9I2NO3 0 C01060 9305 15768 NYPYHUZRZVSYKL-ZETCQYMHSA-N HMDB03474 02/07/2014 Tyrosine metabolism 35dsmv 3,5-dihydrodiol-simvastatin-lactone form C25H40O7 C25H40O7 0 02/07/2014 Drug metabolism 36dahx (3S)-3,6-Diaminohexanoate C6H15N2O2 1 C01142 439417 QKEWQOJCHPFEAF-YFKPBYRVSA-N HMDB0012114 02/07/2014 Lysine metabolism 37dmurt 3,7-Dimethyluric acid C7H8N4O3 0 19/09/2018 Caffeine metabolism 37dmxthn 3,7-Dimethylxanthine C7H8N4O2 0 19/09/2018 Caffeine metabolism 3a2opp 3-Amino-2-oxopropyl phosphate C3H8NO5P C3H7NO5P -1 1449 02/07/2014 Vitamin B6 metabolism 3abutcoa L-3-Aminobutyryl-CoA C25H43N8O17P3S C25H39N8O17P3S -4 C05231 440564 CCSDHAPTHIKZLY-LRJFFYKASA-N HMDB0012248 23/02/2015 Butanoate metabolism 3adp2pg 3-(ADP)-2-phosphoglycerate C13H16N5O16P3 -4 19/09/2018 Glycolysis/gluconeogenesis 3adpg 3-(ADP)-glycerate C13H16N5O13P2 -3 19/09/2018 Glycolysis/gluconeogenesis 3aib (S)-3-aminoisobutyric acid C4H9NO2 0 C03284 439434 33094 QCHPKSFMDHPSNR-VKHMYHEASA-N HMDB02166 02/07/2014 Alanine and aspartate metabolism 3aib_D D-3-Amino-isobutanoate C4H9NO2 0 C01205 5459822 16320 QCHPKSFMDHPSNR-GSVOUGTGSA-N HMDB02299 02/07/2014 Pyrimidine catabolism 3aib_L L-3-Amino-isobutyrate C4H9NO2 C4H9NO2 0 02/07/2014 3amp 3-AMP(2-) C10H12N5O7P -2 C01367 28931 LNQVTSROQXJCDD-KQYNXXCUSA-L HMDB03540 02/07/2014 Nucleotide interconversion 3ap12dn 3-Aminopropane-1,2-diol C3H10NO2 1 19/09/2018 Vitamin B6 metabolism 3apntrl 3-Aminopropiononitrile C3H7N2 1 19/09/2018 Cyanoamino acid metabolism 3atrpn 3-Acetyltropine C10H17NO2 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis 3bcrn 3-hydroxy butyryl carnitine C11H21NO5 0 90659885 UEFRDQSMQXDWTO-UHFFFAOYSA-N HMDB0062735 02/07/2014 Fatty acid oxidation 3bhd5strd 3beta-Hydroxy-delta5-steroid C19H30O 0 19/09/2018 Steroid metabolism 3btcoa 3-Butenoyl-CoA C25H40N7O17P3S C25H36N7O17P3S -4 02/07/2014 Butanoate metabolism 3btnt 3-Butynoate C4H3O2 -1 19/09/2018 Butanoate metabolism 3c2hmp 3-Carboxy-2-hydroxy-4-methylpentanoate C7H10O5 -2 HMDB0012156 02/07/2014 Valine, leucine, and isoleucine metabolism 3c2hmsal 3-Carboxy-2-hydroxymuconate semialdehyde C7H4O6 -2 19/09/2018 Xenobiotics metabolism 3c3hmp 3-Carboxy-3-hydroxy-4-methylpentanoate C7H10O5 -2 HMDB00402 02/07/2014 Valine, leucine, and isoleucine metabolism 3c4mop 3-Carboxy-4-methyl-2-oxopentanoate C7H8O5 -2 HMDB0012149 02/07/2014 Valine, leucine, and isoleucine metabolism 3chmucnt 3-Chloro-cis,cis-muconate C6H3O4Cl -2 19/09/2018 Benzoate degradation 3clctcl 3-Chlorocatechol C6H5O2Cl 0 19/09/2018 Benzoate degradation 3cldhchdn 3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H7O2Cl 0 19/09/2018 Xenobiotics metabolism 3clhmsaldh 3-Chloro-2-hydroxymuconic semialdehyde C6H4O4Cl -1 19/09/2018 Chlorocyclohexane and chlorobenzene degradation 3cmp 3-cmp C9H12N3O8P -2 02/07/2014 Nucleotide interconversion 3cmuc 3-Carboxy-cis,cis-muconate C7H6O6 C7H3O6 -3 02/07/2014 Benzoate degradation 3cvobz 3-[(1-Carboxyvinyl)oxy]benzoate C10H8O5 C10H6O5 -2 C20772 254741239 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis 3ddcrn 3-hydroxydodecanoylcarnitine C19H37NO5 0 ULWDPUHFMOBGFJ-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation 3ddecdicoa 3,6-dodecadienoylcoa C33H50N7O17P3S -4 C05280 5280771 28002 KEPSPLQXVPROMK-ASJCJLDXSA-J HMDB03952 02/07/2014 Fatty acid oxidation 3ddgc 3-Dehydro-2-deoxy-D-gluconate C6H9O6 -1 02/07/2014 Pentose and glucuronate interconversions 3ddlhept 3-deoxy-d-lyxo-heptulosaric acid (rare sugar in rhamnogalacturonan II) C7H10O8 C7H9O8 -1 3082831 02/07/2014 Plant polysaccharide degradation 3deccrn 3-hydroxydecanoylcarnitine C17H33NO5 0 XZARHVHXYGIXLB-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation 3decdicoa 3,7-decadienoylcoa C31H46N7O17P3S -4 PCKVSONOTLJORL-RSEHLHAXSA-J 02/07/2014 Fatty acid oxidation 3dgdsbssmn 3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine C12H18NO17S2 -3 19/09/2018 Heparan sulfate degradation 3dh46dchol 3-dehydro-delta-4,6-Deoxycholate C24H34O4 C24H33O4 -1 22/12/2016 Bile acid metabolism 3dh46lchol 3-dehydro-delta-4,6-Lithocholate C24H34O3 C24H33O3 -1 22/12/2016 Bile acid metabolism 3dh4cacoa 3-dehydro-delta-4,6-Lithocholate C45H70N7O20P3S C45H66N7O20P3S -4 22/12/2016 Bile acid metabolism 3dh4cdcacoa 3-dehydro-delta-4-Chenodeoxycholoyl-CoA C45H70N7O19P3S C45H66N7O19P3S -4 22/12/2016 Bile acid metabolism 3dh4cdchol 3-dehydro-delta-4-Chenodeoxycholate C24H36O4 C24H35O4 -1 22/12/2016 Bile acid metabolism 3dh4chol 3-dehydro-delta-4-Choloate C24H36O5 C24H35O5 -1 22/12/2016 Bile acid metabolism 3dh4dchol 3-dehydro-delta-4-Deoxycholate C24H36O4 C24H35O4 -1 22/12/2016 Bile acid metabolism 3dh4lchol 3-dehydro-delta-4-Lithocholate C24H36O3 C24H35O3 -1 22/12/2016 Bile acid metabolism 3dh4udcacoa 3-dehydro-delta-4-Ursodeoxycholoyl-CoA C45H70N7O19P3S C45H66N7O19P3S -4 22/12/2016 Bile acid metabolism 3dh4udchol 3-dehydro-delta-4-Ursodeoxycholate C24H36O4 C24H35O4 -1 22/12/2016 Bile acid metabolism 3dhadchol 3-dehydro-Deoxycholate C24H38O4 C24H37O4 -1 15/03/2017 Bile acid metabolism 3dhalchol 3-dehydro-Lithocholate C24H38O3 C24H37O3 -1 15/03/2017 Bile acid metabolism 3dhcacoa 3-dehydro-Choloyl-CoA C45H72N7O20P3S C45H68N7O20P3S -4 22/12/2016 Bile acid metabolism 3dhcdcacoa 3-dehydro-Chenodeoxycholoyl-CoA C45H72N7O19P3S C45H68N7O19P3S -4 22/12/2016 Bile acid metabolism 3dhcdchol 3-Dehydrochenodeoxycholate C24H38O4 C24H37O4 -1 22/12/2016 Bile acid metabolism 3dhchol 3-Dehydrocholate C24H38O5 C24H37O5 -1 HMDB0062680 22/12/2016 Bile acid metabolism 3dhcrntn 3-Dehydrocarnitine C7H13NO3 0 19/09/2018 Fatty acid oxidation 3dhdchol 3-dehydro-Deoxycholate C24H38O4 C24H37O4 -1 22/12/2016 Bile acid metabolism 3dhguln 3-dehydro-L-gulonate C6H9O7 -1 C00618 439273 16142 WTAHRPBPWHCMHW-LWKDLAHASA-M HMDB06334 02/07/2014 Pentose and glucuronate interconversions 3dhgulnp 3-keto-L-gulonate-6-phosphate C6H8O10P -3 02/07/2014 Ascorbate and aldarate metabolism 3dhlchol 3-dehydro-Lithocholate C24H38O3 C24H37O3 -1 22/12/2016 Bile acid metabolism 3dhq 3-Dehydroquinate C7H9O6 -1 HMDB0012710 02/07/2014 Phenylalanine metabolism 3dhsk 3-Dehydroshikimate C7H7O5 -1 02/07/2014 Phenylalanine metabolism 3dhudcacoa 3-dehydro-Ursodeoxycholoyl-CoA C45H72N7O19P3S C45H68N7O19P3S -4 22/12/2016 Bile acid metabolism 3docopencoa 3,7,10,13,16-docosapentenoylcoa C43H64N7O17P3S -4 UFAUHGAQSSJIOU-DAUPRVDASA-J 02/07/2014 Fatty acid oxidation 3dodtricoa 3,6,9-dodecatrienoylcoa C33H48N7O17P3S -4 YCCKLKCLFHVHRH-HJGRVULYSA-J 02/07/2014 Fatty acid oxidation 3dpdhb 3-Decaprenyl-4,5-dihdydroxybenzoate C57H85O4 -1 54738022 50775 HGWUGDIATLOPBN-BHZQGFRMSA-M HMDB0062204 02/07/2014 Ubiquinone synthesis 3dpdhb_me 3-Decaprenyl-4-hydroxy-5-methoxybenzoate C58H87O4 -1 54738023 62796 WCQCNOIKXGNDLX-RDSVHMIISA-M HMDB0062355 02/07/2014 Ubiquinone synthesis 3dphb 3-Decaprenyl-4-hydroxybenzoate C57H85O3 -1 64136 CMPNJZREBHCPHN-LTNIBBDRSA-M HMDB06251 02/07/2014 Ubiquinone synthesis 3dsphgn (2S)-1-hydroxy-3-oxooctadecan-2-aminium C18H38NO2 1 C02934 439853 17862 KBUNOSOGGAARKZ-KRWDZBQOSA-O HMDB01480 02/07/2014 Sphingolipid metabolism 3ethmal 3-Ethylmalate C6H8O5 -2 19/09/2018 Glyoxylate and dicarboxylate metabolism 3fadgrfns 3F-alpha-D-Galactosylraffinose C24H42O21 0 19/09/2018 Fructose and mannose metabolism 3fbnzt 3-Fluorobenzoate C7H4O2F -1 19/09/2018 Fluorobenzoate degradation 3fch1c 3-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H6O4F -1 19/09/2018 Fluorobenzoate degradation 3fctcl 3-Fluorocatechol C6H5O2F 0 19/09/2018 Fluorobenzoate degradation 3fmcnt 3-Fluoro-cis,cis-muconate C6H3O4F -2 19/09/2018 Fluorobenzoate degradation 3fsalc 3-Formylsalicylic acid C8H5O4 -1 C14096 01/07/2019 Naphthalene degradation 3fuclac 3-Fucosyllactose (HMO, PMID:11425797) C18H32O15 C18H32O15 0 G00313 02/07/2014 3fumrlpyr 3-Fumarylpyruvate C7H4O6 -2 19/09/2018 Tyrosine metabolism 3gmp 3-GMP C10H12N5O8P -2 02/07/2014 Nucleotide interconversion 3h26dm5coa 3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA C31H48N7O18P3S -4 C11947 9543313 LQMGDAUBYDSVAK-VEQIRKQXSA-J HMDB04601 02/07/2014 Limonene and pinene degradation 3h2hp46dc 2-Hydroxy-2-hydropyrone-4,6-dicarboxylate C7H4O6 -2 19/09/2018 Benzoate degradation 3h2m45dc 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate C8H7NO5 C8H5NO5 -2 C04604 01/07/2019 Vitamin B6 metabolism 3h2mp5c 3-Hydroxy-2-methylpyridine-5-carboxylate C7H7NO3 C7H6NO3 -1 C01270 01/07/2019 Vitamin B6 metabolism 3h3mglt 3-Hydroxy-3-Methyl-Glutarate C6H8O5 -2 5459993 NPOAOTPXWNWTSH-UHFFFAOYSA-L HMDB0059737 03/01/2017 Valine, leucine, and isoleucine metabolism 3h3mop (R)-3-Hydroxy-3-methyl-2-oxopentanoate C6H10O4 C6H9O4 -1 C14463 17395463 02/07/2014 Valine, leucine, and isoleucine metabolism 3h5ohxnt 3-Hydroxy-5-oxohexanoate C6H9O4 -1 19/09/2018 Aminobenzoate degradation 3haACP (3R)-3-Hydroxyacyl-[acyl-carrier protein] C15H27N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hacoa (S)-3-Hydroxyacyl-CoA C24H36N7O18P3RS -3 19/09/2018 Fatty acid oxidation 3hadicoa 3-Hydroxy-Adipoyl Coenzyme A C27H39N7O20P3S -5 BWCSDUMXQOYONM-UHFFFAOYSA-I 03/01/2017 Fatty acid oxidation 3hadpac 3-Hydroxy-Adipate C6H8O5 -2 YVOMYDHIQVMMTA-UHFFFAOYSA-L 03/01/2017 Fatty acid oxidation 3hadpcoa (3S)-3-Hydroxyadipyl-CoA C27H39N7O20P3S -5 C14145 53481427 OTEACGAEDCIMBS-IDOHWZMPSA-N HMDB0012475 02/07/2014 Benzoate degradation 3hanthrn 3-hydroxyanthranilate C7H7NO3 0 C00632 86 15793 WJXSWCUQABXPFS-UHFFFAOYSA-N HMDB01476 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism 3haphe 3-Hydroxyaminophenol C6H7NO2 0 19/09/2018 Xenobiotics metabolism 3hbacp 3R__3_Hydroxybutanoyl_acyl_carrier_protein C4H6O2X 0 02/07/2014 3hbaldh 3-Hydroxybenzaldehyde C7H6O2 0 19/09/2018 Fatty acid oxidation 3hbbut (R)-3-((R)-3-Hydroxybutanoyloxy)butanoate C8H14O5 C8H13O5 -1 02/07/2014 Butanoate metabolism 3hbcoa (S)-3-hydroxybutanoyl-CoA(4-) C25H38N7O18P3S -4 C01144 439419 15453 QHHKKMYHDBRONY-VKBDFPRVSA-J HMDB0062259 02/07/2014 Butanoate metabolism 3hbcoa_R (R)-3-hydroxybutanoyl-CoA(4-) C25H38N7O18P3S -4 C03561 440045 15452 QHHKKMYHDBRONY-WZZMXTMRSA-J HMDB01166 02/07/2014 Butanoate metabolism 3hbnlcoa 3-Hydroxybutanoyl-CoA C25H39N7O18P3S -3 19/09/2018 Fatty acid oxidation 3hbnzt 3-Hydroxybenzoate C7H5O3 -1 19/09/2018 Fatty acid oxidation 3hbutnt (S)-3-Hydroxybutanoate C4H7O3 C4H7O3 -1 19/09/2018 Fatty acid oxidation 3hcddec5eACP (R)-3-hydroxy-cis-dodec-5-enoyl-[acyl-carrier protein] C23H41N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hcdgggp CDP-2-O-(3'-hydroxy)geranyl-3-O-geranyl-sn-glycerol C52H85N3O14P2 C52H85N3O14P2 -2 13/05/2020 Glycerophospholipid metabolism 3hcinnm 3-hydroxycinnamic acid C9H7O3 -1 54694258 KKSDGJDHHZEWEP-SNAWJCMRSA-M HMDB0062774 02/07/2014 Phenylalanine metabolism 3hcmrs7eACP (R)-3-hydroxy-cis-myristol-7-eoyl-[acyl-carrier protein] C25H45N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hcpalm9eACP (R)-3-hydroxy-cis-palm-9-eoyl-[acyl-carrier protein] C27H49N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hcvac11eACP (R)-3-hydroxy-cis-vacc-11-enoyl-[acyl-carrier protein] C29H53N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hdcoa (S)-3-Hydroxydecanoyl-CoA C31H50N7O18P3S -4 C05264 16061159 28325 HIVSMYZAMUNFKZ-PNPVFPMQSA-J HMDB03938 02/07/2014 Fatty acid oxidation 3hddacp R__3_Hydroxydodecanoyl_acyl_carrier_protein C12H22O2X 0 02/07/2014 3hddcoa (S)-3-Hydroxydodecanoyl-CoA C33H54N7O18P3S -4 C05262 440603 62558 IJFLXRCJWPKGKJ-LXIXEQKWSA-J HMDB03936 02/07/2014 Fatty acid oxidation 3hddecACP (R)-3-Hydroxydodecanoyl-[acyl-carrier protein] C23H43N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hdeacp 3R__3_Hydroxydecanoyl_acyl_carrier_protein C10H18O2X 0 02/07/2014 3hdecACP (R)-3-Hydroxydecanoyl-[acyl-carrier protein] C21H39N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hdeccoa 3-hydroxyhexadecenoylcoa C37H60N7O18P3S -4 02/07/2014 Fatty acid oxidation 3hdececrn 3-hydroxyhexadecenoylcarnitine C23H43NO5 0 WAGYLURELCUJPG-SPIWFDJVSA-N 02/07/2014 Fatty acid oxidation 3hdgggp 2-O-(3'-hydroxy)geranyl-3-O-geranyl-sn-glycerol C43H73O7P1 C43H73O7P -2 13/05/2020 Glycerophospholipid metabolism 3hdgggps 2-O-(3'-hydroxy)geranyl-3-O-geranyl-sn-glyceroserine C46H79N1O9P1 C46H79NO9P -1 13/05/2020 Glycerophospholipid metabolism 3hdggpg 2-O-(3'-hydroxy)geranyl-3-O-geranyl-sn-glycerol-1-phospho-3'-sn-glycerol C46H80O9P1 C46H80O9P -1 13/05/2020 Glycerophospholipid metabolism 3hdggpgp 2-O-(3'-hydroxy)geranyl-3-O-geranyl-sn-glycerol-1-phospho-3'-sn-glycerol phosphate C46H79O12P2 C46H79O12P2 -3 13/05/2020 Glycerophospholipid metabolism 3hdggpi 2-O-(3'hydroxy)geranyl-3-O-geranyl-sn-glycero-1-phospho-myo-inositol C49H84O12P1 C49H84O12P -1 13/05/2020 Glycerophospholipid metabolism 3hdpgpe 2-O-(3'-hydroxy)phytanyl-3-O-phytanyl-sn-glycero-l-phosphoethanolamine C45H94O7N1P1 C45H94NO7P 0 13/05/2020 Glycerophospholipid metabolism 3hdpgpg 2-O-(3'-hydroxy)phytanyl-3-O-phytanyl-sn-glycerol-1-phospho-3'-sn-glycerol C46H94O9P1 C46H94O9P -1 13/05/2020 Glycerophospholipid metabolism 3hdpgpi 2-O-(3'-hydroxyl)phytanyl-3-O-phytanyl-sn-glycero-1-phospho-myo-inositol C49H98O12P1 C49H98O12P -1 13/05/2020 Glycerophospholipid metabolism 3hdpgps 2-O-(3'-hydroxy)phytanyl-3-O-phytanyl-sn-glycero-l-phosphoserine C46H93N1O9P1 C46H93NO9P -1 13/05/2020 Glycerophospholipid metabolism 3hemthg 3-Hydroxy-3-methylglutarate C6H8O5 -2 19/09/2018 Others 3hexdcoa 3-hydroxyhexadecanoylcoa C37H62N7O18P3S -4 C05258 440600 27402 DEHLMTDDPWDRDR-BCIKBWLNSA-J HMDB03932 02/07/2014 Fatty acid oxidation 3hexdcrn 3-hydroxyhexadecanoylcarnitine C23H45NO5 0 53481691 MHJOYNGEDDXLLU-LBAQZLPGSA-N HMDB0013336 02/07/2014 Fatty acid oxidation 3hexdtetcoa 3,7,10,13-hexadecatetraenoylcoa C37H54N7O17P3S -4 RDUFPHXVOIEKMV-YIKMFAKMSA-J 02/07/2014 Fatty acid oxidation 3hexdtricoa 3,7,10-hexadecatrienoylcoa C37H56N7O17P3S -4 ZNIIDPYHPPJCFQ-VPNBAAGLSA-J 02/07/2014 Fatty acid oxidation 3hfrdp 3-hydroxy-farnesyl diphosphate C15H27O8P2 C15H27O8P2 -3 13/05/2020 Glycerophospholipid metabolism 3hgACPm 3-hydroxyglutaryl-ACP methyl ester C17H29N2O11PRS -1 02/07/2014 Biotin metabolism 3hgcoa 3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA C32H48N7O20P3S -4 19/09/2018 Geraniol degradation 3hggdp 3-hydroxy-geranylgeranyl diphosphate C20H35O8P2 C20H35O8P2 -3 13/05/2020 Glycerophospholipid metabolism 3hglutcoa 3-Hydroxy-Glutaryl Coenzyme A C26H37N7O20P3S -5 IIYZSYKTQRIPRG-UHFFFAOYSA-I 03/01/2017 Lysine metabolism 3hgrdp 3-hydroxy-geranyl diphsophate C10H19O8P2 C10H19O8P2 -3 13/05/2020 Glycerophospholipid metabolism 3hhacp R__3_Hydroxyhexanoyl_acp C6H10O2X 0 02/07/2014 3hhcoa (S)-3-Hydroxyhexanoyl-CoA C27H42N7O18P3S -4 02/07/2014 Fatty acid synthesis 3hhdcoa (S)-3-Hydroxyhexadecanoyl-CoA C37H62N7O18P3S -4 HMDB03932 02/07/2014 Fatty acid synthesis 3hhexACP (R)-3-Hydroxyhexanoyl-[acyl-carrier protein] C17H31N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hibup_R 3-hydroxy R-ibuprofen C13H18O3 C13H17O3 -1 182443 02/07/2014 Drug metabolism 3hibup_S 3-hydroxy S-ibuprofen C13H18O3 C13H17O3 -1 182443 02/07/2014 Drug metabolism 3hibupglu_S 3-hydroxy S-ibuprofen-glucuronide C19H26O9 C19H25O9 -1 02/07/2014 Drug metabolism 3hibutcoa (S)-3-Hydroxyisobutyryl-CoA C25H38N7O18P3S -4 C04047 28259 WWEOGFZEFHPUAM-UQCJFRAESA-J HMDB01052 02/07/2014 Fatty acid synthesis 3hisovalcoa 3-Hydroxyisovaleryl-CoA C26H44N7O18P3S C26H40N7O18P3S -4 C05998 20/06/2018 Valerate metabolism 3hivac 3-Hydroxyisovaleric Acid C5H9O3 -1 C20827 69362 AXFYFNCPONWUHW-UHFFFAOYSA-M HMDB00754 03/01/2017 Valine, leucine, and isoleucine metabolism 3hlglu 3-Hydroxy-L-glutamate C5H8NO5 -1 19/09/2018 Tryptophan metabolism 3hlvst 3-hydroxy-lovastatin lactone form C24H36O6 C24H36O6 0 02/07/2014 Drug metabolism 3hlvstacid 3-hydroxy-lovastatin acid form C24H38O7 C24H37O7 -1 02/07/2014 Drug metabolism 3hmbcoa (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA(4-) C26H40N7O18P3S -4 C04405 440326 15449 PEKYNTFSOBAABV-LQUDNSJZSA-J HMDB01356 02/07/2014 Fatty acid synthesis 3hmhecoa 3-Hydroxy-5-methylhex-4-enoyl-CoA C28H43N7O18P3S -3 19/09/2018 Geraniol degradation 3hmp 3-hydroxy-2-methylpropanoate C4H7O3 -1 C06001 440873 37373 DBXBTMSZEOQQDU-VKHMYHEASA-M HMDB00023 02/07/2014 Miscellaneous 3hmrsACP (R)-3-Hydroxytetradecanoyl-[acyl-carrier protein] C25H47N2O9PRS -1 02/07/2014 Aminosugar metabolism 3hocacp R__3_Hydroxyoctanoyl_acyl_carrier_protein C8H14O2X 0 02/07/2014 3hocdacp 3R__3_Hydroxyoctadecanoyl_acyl_carrier_protein C18H34O2X 0 02/07/2014 3hocoa (S)-3-Hydroxyoctanoyl-CoA C29H46N7O18P3S -4 HMDB03940 02/07/2014 Fatty acid synthesis 3hoctaACP (R)-3-Hydroxyoctadecanoyl-[acyl-carrier protein] C29H55N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hoctACP (R)-3-Hydroxyoctanoyl-[acyl-carrier protein] C19H35N2O9PRS -1 02/07/2014 Fatty acid synthesis 3hoctdecACP 3-Hydroxyoctodecanoyl-ACP X X 0 30/09/2014 3hodcoa (S)-3-Hydroxyoctadecanoyl-CoA C39H66N7O18P3S -4 49859586 WZMAIEGYXCOYSH-DHAMPVRESA-J 02/07/2014 Fatty acid oxidation 3hopc4coa 3-Hydroxy-OPC4-CoA C35H53N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3hopc6coa 3-Hydroxy-OPC6-CoA C37H57N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3hopc8coa 3-Hydroxy-OPC8-CoA C39H61N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3hpaacp 3R__3_Hydroxypalmitoyl_acyl_carrier_protein C16H30O2X 0 02/07/2014 Fatty acid oxidation 3hpACPm 3-hydroxypimeloyl-ACP methyl ester C19H33N2O11PRS -1 02/07/2014 Biotin metabolism 3hpalmACP R-3-hydroxypalmitoyl-[acyl-carrier protein] C27H51N2O9PRS -1 02/07/2014 Aminosugar metabolism 3hpcoa 3-hydroxypropanoyl-CoA(4-) C24H36N7O18P3S -4 C05668 440753 27762 BERBFZCUSMQABM-IEXPHMLFSA-J HMDB06807 02/07/2014 Beta-alanine metabolism 3hphac 3-Hydroxyphenylacetate C8H8O3 C8H7O3 -1 C05593 12122 FVMDYYGIDFPZAX-UHFFFAOYSA-N HMDB00440 02/07/2014 Tyrosine metabolism 3hpmlcoa 3-Hydroxypimelyl-CoA C28H42N7O20P3S -4 19/09/2018 Benzoate degradation 3hpp 3-hydroxypropionate C3H5O3 -1 C01013 68152 33404 ALRHLSYJTWAHJZ-UHFFFAOYSA-M HMDB00700 02/07/2014 Beta-alanine metabolism 3hppa 3-hydroxyphenylpropionic acid (3-HPPA) C9H10O3 C9H9O3 -1 C11457 CHEBI:1427 QVWAEZJXDYOKEH-UHFFFAOYSA-M HMDB00375 12/01/2015 3hppnl 3-Hydroxypropanal C3H6O2 C3H6O2 0 C00969 75049 17871 AKXKFZDCRYJKTF-UHFFFAOYSA-N [H]C(=O)CCO HMDB03453 02/07/2014 Glycerophospholipid metabolism 3hpppn 3-(3-hydroxy-phenyl)propionate C9H9O3 -1 QVWAEZJXDYOKEH-UHFFFAOYSA-M 02/07/2014 Phenylalanine metabolism 3hpppnoh 3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative C9H9O4 -1 03/01/2017 Phenylalanine metabolism 3hpppnohgluc 3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide C15H16O9 -2 03/01/2017 Phenylalanine metabolism 3hpvs 3-S-hydroxy-pravastatin C23H35NaO8 C23H35NaO8 0 02/07/2014 Drug metabolism 3hpvscoa 3-S-hydroxy-pravastatin-CoA C44H70N7NaO24P3S C44H67N7NaO24P3S -3 02/07/2014 3hpvstet 3-S-hydroxy-pravastatin-tetranor C19H27NaO6 C19H27NaO6 0 02/07/2014 Drug metabolism 3hpvstetcoa 3-S-hydroxy-pravastatin-tetranor-CoA C40H62N7NaO21P3S C40H58N7NaO21P3S -4 02/07/2014 3hqn 3-Hydroxyquinine C20H25N2O3 1 19/09/2018 Phenylalanine metabolism 3hsmv 3-hydroxy-simvastatin-lactone form C25H38O6 C25H38O6 0 02/07/2014 Drug metabolism 3hsmvacid 3-hydroxy-simvastatin-acid form C25H40O7 C25H39O7 -1 02/07/2014 Drug metabolism 3htdacp 3R__3_Hydroxytetradecanoyl_acyl_carrier_protein C14H26O2X 0 02/07/2014 3htdcoa (S)-3-Hydroxytetradecanoyl-CoA C35H58N7O18P3S -4 C05260 440602 62614 OXBHKMHNDGRDCZ-STLSENOWSA-J HMDB03934 02/07/2014 Fatty acid oxidation 3htmelys 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine C9H20N2O3 0 C01259 439460 15786 ZRJHLGYVUCPZNH-MQWKRIRWSA-N HMDB01422 02/07/2014 Lysine metabolism 3htpentaecoa (6Z,9Z,12Z,15Z,18Z)-3-Hydroxytetracosapenta-6,9,12,15,18-enoyl-CoA C45H68N7O18P3S -4 C16388 01/07/2019 Fatty acid metabolism 3hxkynam 3-Hydroxykynurenamine C9H13N2O2 1 C05636 440736 ODOPEICAGBYCFH-UHFFFAOYSA-O 02/07/2014 Tryptophan metabolism 3ig3p C-(3-Indolyl)-glycerol 3-phosphate C11H12NO6P -2 02/07/2014 Tryptophan metabolism 3ip6ohnt (3R)-3-Isopropenyl-6-oxoheptanoate C10H15O3 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 3ipenlcoa 3-Isopropylbut-3-enoyl-CoA C28H43N7O17P3S -3 19/09/2018 Xenobiotics metabolism 3ipent 3-Isopropylbut-3-enoic acid C7H11O2 -1 19/09/2018 Xenobiotics metabolism 3ispvs 3-alpha-iso-pravastatin C23H35NaO7 C23H35NaO7 0 02/07/2014 Drug metabolism 3ityr_L 3-iodo-L-tyrosine C9H10INO3 0 C02515 439744 27847 UQTZMGFTRHFAAM-ZETCQYMHSA-N HMDB00021 02/07/2014 Tyrosine metabolism 3ivcoa 3-hydroxyisovalerylcoa C26H40N7O18P3S -4 C05998 11953876 28291 PEVZKILCBDEOBT-CITAKDKDSA-J HMDB06870 02/07/2014 Fatty acid oxidation 3ivcrn 3-hydroxy-isovaleryl carnitine C12H23NO5 0 53915061 IGLHHSKNBDXCEY-UHFFFAOYSA-N HMDB0061189 02/07/2014 Fatty acid oxidation 3m1hbtpp 3-Methyl-1-hydroxybutyl-TPP C17H29N4O8P2S C17H26N4O8P2S -2 HMDB06865 02/07/2014 Valine, leucine, and isoleucine metabolism 3m2mcptmp 3-Mercapto-2-mercaptomethylpropanoate C4H7O2S2 -1 19/09/2018 Others 3m4hpga 3-Methoxy-4-hydroxyphenylglycolaldehyde C9H10O4 0 C05583 440729 VISAJVAPYPFKCL-UHFFFAOYSA-N HMDB04061 02/07/2014 Miscellaneous 3mapgn 3-Methoxyapigenin C16H12O6 0 19/09/2018 Isoquinoline alkaloid biosynthesis 3masp L-threo-3-Methylaspartate C5H9NO4 C5H7NO4 -2 C03618 17/03/2015 Glutamate metabolism 3mb2coa 3-methylbut-2-enoyl-CoA(4-) C26H38N7O17P3S -4 C03069 439869 15486 BXIPALATIYNHJN-ZMHDXICWSA-J HMDB01493 02/07/2014 Fatty acid oxidation 3mba 3_methylbutanoic_acid X 0 02/07/2014 3mbal 3_methylbutanal X 0 02/07/2014 3mbaldh 3-Methylbenzaldehyde C8H8O 0 19/09/2018 Toluene degradation 3mboh 3-Methylbenzyl alcohol C8H10O 0 19/09/2018 Toluene degradation 3mbol 3_methylbutanol X 0 02/07/2014 3mbutACP 3-methylbutanoyl-ACP,isovaleryl-ACP C16H29N2O8PRS -1 02/07/2014 Fatty acid synthesis 3mcat 3-Methylcatechol C7H8O2 C7H8O2 0 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism 3meacmp 3-methoxy-acetaminophen C9H11NO3 C9H11NO3 0 02/07/2014 Drug metabolism 3mgcoa trans-3-methylglutaconyl-CoA(5-) C27H37N7O19P3S -5 C03231 5462214 57346 GXKSHRDAHFLWPN-RKYLSHMCSA-I HMDB01057 02/07/2014 Valine, leucine, and isoleucine metabolism 3mglutac 3-Methyl-Glutaconate C6H6O4 -2 WKRBKYFIJPGYQC-DUXPYHPUSA-L 03/01/2017 Valine, leucine, and isoleucine metabolism 3mglutr 3-Methyl-Glutarate C6H8O4 -2 XJMMNTGIMDZPMU-UHFFFAOYSA-L 03/01/2017 Valine, leucine, and isoleucine metabolism 3mhis 3-Methylhistidine C7H11N3O2 0 C01152 64969 JDHILDINMRGULE-LURJTMIESA-N HMDB00479 03/01/2017 Beta-alanine metabolism 3mlda 3-Methylimidazoleacetic acid C6H7N2O2 -1 C05828 75810 1606 ZHCKPJGJQOPTLB-UHFFFAOYSA-M HMDB02820 02/07/2014 Histidine metabolism 3mldz 1-methylimidazole-4-acetaldehyde C6H8N2O 0 C05827 193545 28104 GCQHUBANENYTLB-UHFFFAOYSA-N HMDB04181 02/07/2014 Histidine metabolism 3mmlctn 3-Methylmuconolactone C7H7O4 -1 19/09/2018 Toluene degradation 3mmucnt 3-Methyl-cis,cis-muconate C7H6O4 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 3mob 3-methyl-2-oxobutanoate C5H7O3 -1 C00141 49 16530 QHKABHOOEWYVLI-UHFFFAOYSA-M HMDB00019 02/07/2014 CoA synthesis 3mop 3-methyl-2-oxopentanoate C6H9O3 -1 C03465 47 35932 JVQYSWDUAOAHFM-UHFFFAOYSA-M HMDB00491 02/07/2014 Miscellaneous 3mox4hoxm 3-Methoxy-4-hydroxymandelate C9H9O5 -1 C05584 736172 20106 CGQCWMIAEPEHNQ-UHFFFAOYSA-M HMDB00291 02/07/2014 Miscellaneous 3mox4hpac (4-hydroxy-3-methoxyphenyl)acetaldehyde C9H10O3 0 C05581 151276 28111 GOQGGGANVKPMNH-UHFFFAOYSA-N HMDB05175 02/07/2014 Miscellaneous 3moxtyr 3-Methoxytyramine C9H14NO2 1 C05587 1669 742324 DIVQKHQLANKJQO-UHFFFAOYSA-N HMDB00022 02/07/2014 Tyrosine metabolism 3msaclt 3-Methylsalicylate C8H8O3 C8H7O3 -1 HMDB02390 02/07/2014 Naphthalene degradation 3mthpb 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one C11H14O4 0 19/09/2018 Valine, leucine, and isoleucine metabolism 3mtp 3-methyl-thio-propionate (CAS ID: 5925-75-7) C4H8OS C4H8OS 0 521869 AIILTVHCLAEMDA-UHFFFAOYSA-N HMDB0031192 18/09/2014 Methionine and cysteine metabolism 3mxnthn 3-Methylxanthine C6H6N4O2 0 19/09/2018 Caffeine metabolism 3oacoa 3-Oxoacyl-CoA C24H34N7O18P3RS -3 19/09/2018 Fatty acid oxidation 3ocddcoa 3-hydroxyoctadecadienoylcoa C39H62N7O18P3S -4 02/07/2014 Fatty acid oxidation 3ocddec5eACP 3-oxo-cis-dodec-5-enoyl-[acyl-carrier protein] C23H39N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ocmrs7eACP 3-oxo-cis-myristol-7-eoyl-[acyl-carrier protein] C25H43N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ocpalm9eACP 3-oxo-cis-palm-9-eoyl-[acyl-carrier protein] C27H47N2O9PRS -1 02/07/2014 Fatty acid synthesis 3octdec2coa 3-hydroxyoctadecadienoylcoa C39H66N7O18P3S C39H62N7O18P3S -4 02/07/2014 3octdec2crn 3-hydroxyoctadecadienoylcarnitine C25H45NO5 0 WQYXCASYXUFNSI-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation 3octdeccrn 3-hydroxyoctadecanoyl carnitine C25H49NO5 0 PWZJXSPDNGIODC-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation 3octdece1coa 3-hydroxyoctadecenoylcoa C39H64N7O18P3S -4 SCDXBWNPJAGEEK-ORSZBQJQSA-J 02/07/2014 Fatty acid oxidation 3octdece1crn 3-hydroxy-octadecenoyl carnitine C25H47NO5 0 53481697 DGNPJQDFCXFOEZ-OEPBMOORSA-N HMDB0013339 02/07/2014 Fatty acid oxidation 3octdectecoa 3,6,9,12-octadecatetraenoylcoa C39H58N7O17P3S -4 WCELJRJTALYIIW-HKPSJFIHSA-J 02/07/2014 Fatty acid oxidation 3octpencoa 3,6,9,12,15-octadecapentenoylcoa C39H56N7O17P3S -4 OXIBOYIJXMSCFS-CYLGIIOVSA-J 02/07/2014 Fatty acid oxidation 3ocvac11eACP 3-oxo-cis-vacc-11-enoyl-[acyl-carrier protein] C29H51N2O9PRS -1 02/07/2014 Fatty acid synthesis 3od5strd 3-Oxo-delta5-steroid C19H28O 0 19/09/2018 Steroid metabolism 3odcoa 3-Oxodecanoyl-CoA C31H48N7O18P3S -4 C05265 440606 28528 AZCVXMAPLHSIKY-HSJNEKGZSA-J HMDB03939 02/07/2014 Fatty acid oxidation 3oddcoa 3-Oxododecanoyl-CoA C33H52N7O18P3S -4 C05263 440604 27868 HQANBZHVWIDNQZ-GMHMEAMDSA-J HMDB03937 02/07/2014 Fatty acid oxidation 3oddecACP 3-Oxododecanoyl-[acyl-carrier protein] C23H41N2O9PRS -1 02/07/2014 Fatty acid synthesis 3odecACP 3-Oxodecanoyl-[acyl-carrier protein] C21H37N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ogACPm 3-ketoglutaryl-ACP methyl ester C17H27N2O11PRS -1 02/07/2014 Biotin metabolism 3oh_cbz 3-Hydroxycarbamazepine C15H12N2O2 C15H12N2O2 0 C16602 135290 01/03/2019 Drug metabolism 3oh_cbz_glc 3-Hydroxy Carbamazepine Glucuronide C21H20N2O8 C21H19N2O8 -1 71748921 01/03/2019 Drug metabolism 3oh_dlor 3-Hydroxydesloratadine C19H19ClN2O C19H19ClN2O 0 29918864 01/03/2019 Drug metabolism 3oh_dlor_glc 3-Hydroxydesloratadine Glucuronide C25H27ClN2O7 C25H26ClN2O7 -1 01/03/2019 Drug metabolism 3oh_mdea 3-Hydroxy N-Desethylamiodarone (3-Hydroxy_MDEA) (M8) C23H25I2NO4 C23H26I2NO4 1 01/03/2019 Drug metabolism 3oh_mdea_glc 3-Hydroxy N-Desethylamiodarone Glucuronide (3-Hydroxy_MDEA_Glc) (M15) C29H33I2NO10 C29H33I2NO10 0 01/03/2019 Drug metabolism 3oh_mxn 3-Hydroxymorphinan C16H21NO C16H22NO 1 5463854 01/03/2019 Drug metabolism 3oh_mxn_glc 3-Hydroxymorphinan O-Glucuronide C22H29NO7 C22H29NO7 0 01/03/2019 Drug metabolism 3ohacmp 3-hydroxy-acetaminophen C8H9NO3 C8H9NO3 0 02/07/2014 Drug metabolism 3ohcoa 3-Oxohexanoyl-CoA C27H40N7O18P3S -4 HMDB03943 02/07/2014 Fatty acid oxidation 3ohdcoa 3-oxopalmitoyl-CoA(4-) C37H60N7O18P3S -4 C05259 440601 15491 NQMPLXPCRJOSHL-BBECNAHFSA-J HMDB06402 02/07/2014 Fatty acid oxidation 3ohexACP 3-Oxohexanoyl-[acyl-carrier protein] C17H29N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ohglutac 3-Hydroxy-Glutarate C5H6O5 -2 ZQHYXNSQOIDNTL-UHFFFAOYSA-L 03/01/2017 Lysine metabolism 3ohodcoa 3-Oxooctadecanoyl-CoA C39H64N7O18P3S -4 C16216 22833663 50571 LGOGWHDPDVAUNY-LFZQUHGESA-J HMDB06498 02/07/2014 Fatty acid oxidation 3ohsebac 3-Hydroxy-Sebacic Acid C10H16O5 -2 OQYZCCKCJQWHIE-UHFFFAOYSA-L 03/01/2017 Fatty acid oxidation 3ohsebcoa 3-Hydroxy-Sebacoyl Coenzyme A C31H47N7O20P3S -5 JHBHJIVEUAFZCF-UHFFFAOYSA-I 03/01/2017 Fatty acid oxidation 3ohsubac 3-Hydoxy-Suberic Acid C8H12O5 -2 ARJZZFJXSNJKGR-UHFFFAOYSA-L 03/01/2017 Fatty acid oxidation 3ohsubcoa 3-Hydoxy-Suberyl Coenzyme A C29H43N7O20P3S -5 AXTXBAGVBAFLGE-UHFFFAOYSA-I 03/01/2017 Fatty acid oxidation 3ohxccoa 3-Oxohexacosyl-CoA C47H80N7O18P3S -4 52977 VOMUIFOBQMYJPJ-GHTQTPJDSA-J 02/07/2014 Fatty acid oxidation 3omal 3-Oxalomalate C6H3O8 -3 19/09/2018 Glyoxylate and dicarboxylate metabolism 3omglt 3-O-Methylgallate C8H7O5 -1 19/09/2018 Aminobenzoate degradation 3omqrctn 3-O-Methylquercetin C16H12O7 0 19/09/2018 Isoquinoline alkaloid biosynthesis 3omrsACP 3-Oxotetradecanoyl-[acyl-carrier protein] C25H45N2O9PRS -1 02/07/2014 Fatty acid synthesis 3oocoa 3-Oxooctanoyl-CoA C29H44N7O18P3S -4 HMDB03941 02/07/2014 Fatty acid oxidation 3ooctACP 3-Oxooctanoyl-[acyl-carrier protein] C19H33N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ooctdACP 3-Oxooctadecanoyl-[acyl-carrier protein] C29H53N2O9PRS -1 02/07/2014 Fatty acid synthesis 3ooctdecACP 3-Oxooctodecanoyl-ACP X X 0 30/09/2014 3oodcoa 3-Oxooctadecanoyl-CoA C39H64N7O18P3S -4 02/07/2014 Fatty acid synthesis 3oopc4coa 3-Oxo-OPC4-CoA C35H51N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3oopc6coa 3-Oxo-OPC6-CoA C37H55N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3opACPm 3-ketopimeloyl-ACP methyl ester C19H31N2O11PRS -1 02/07/2014 Biotin metabolism 3opalmACP 3-Oxohexadecanoyl-[acyl-carrier protein] C27H49N2O9PRS -1 02/07/2014 Fatty acid synthesis 3opc8ocoa 3-Oxo-OPC8-CoA C39H59N7O19P3S -3 19/09/2018 Fatty acid biosynthesis 3ophb 3-Octaprenyl-4-hydroxybenzoate C47H69O3 -1 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis 3otdcoa 3-Oxotetradecanoyl-CoA C35H56N7O18P3S -4 C05261 11966197 28726 IQNFBGHLIVBNOU-QSGBVPJFSA-J HMDB03935 02/07/2014 Fatty acid oxidation 3oxddacp 3_Oxododecanoyl_acyl_carrier_protein C12H20O2X 0 02/07/2014 3oxdeacp 3_Oxodecanoyl_acyl_carrier_protein C10H16O2X 0 02/07/2014 3oxhacp 3_Oxohexanoyl_acyl_carrier_protein C6H8O2X 0 02/07/2014 3oxhdacp 3_Oxohexadecanoyl_acp C16H28O2X 0 02/07/2014 3oxoadp 3-Oxoadipate C6H8O5 C6H6O5 -2 C00846 93 37440 RTGHRDFWYQHVFW-UHFFFAOYSA-N OC(=O)CCC(=O)CC(O)=O HMDB00398 02/07/2014 Benzoate degradation 3oxocacp 3_Oxooctanoyl_acyl_carrier_protein C8H12O2X 0 02/07/2014 3oxocdacp 3_Oxooctadecanoyl_acp C18H32O2X 0 02/07/2014 3oxtdacp 3_Oxotetradecanoyl_acyl_carrier_protein C14H24O2X 0 02/07/2014 3padsel 3-Phosphoadenylylselenate C10H11N5O13P2Se -4 C05696 24892762 AZRLZPIFEZUZLW-KQYNXXCUSA-J HMDB0011104 02/07/2014 Nucleotide interconversion 3pdent 3-Phospho-D-erythronate C4H7O8P -2 19/09/2018 Glycolysis/gluconeogenesis 3pentcoa 3-pentenoyl-CoA C26H42N7O17P3S C26H38N7O17P3S -4 10/06/2018 Valerate metabolism 3pg 3-Phospho-D-glycerate C3H4O7P -3 C00197 439183 17794 OSJPPGNTCRNQQC-UWTATZPHSA-K HMDB0060180 02/07/2014 Carbon fixation in photosynthetic organisms 3php 3-phosphonatooxypyruvate(3-) C3H2O7P -3 C03232 105 30933 LFLUCDOSQPJJBE-UHFFFAOYSA-K HMDB01024 02/07/2014 Glycine, serine, alanine, and threonine metabolism 3pop 3-Phosphonopyruvate C3H2O6P -3 02/07/2014 Glutamate metabolism 3psme 5-O-(1-Carboxyvinyl)-3-phosphoshikimate C10H9O10P -4 02/07/2014 Phenylalanine metabolism 3rbleu (3R)-beta-Leucine C6H13NO2 0 19/09/2018 Valine, leucine, and isoleucine metabolism 3rlnl (3R)-Linalool C10H18O 0 19/09/2018 Geraniol degradation 3sala 3-Sulfino-L-alanine C3H5NO4S -2 C00606 439270 16345 ADVPTQAUNPRNPO-REOHCLBHSA-L HMDB00996 02/07/2014 Methionine and cysteine metabolism 3sccoa (3S)-Citryl-CoA C27H42N7O22P3S C27H37N7O22P3S -5 19/09/2018 C5-branched dibasic acid metabolism 3slact 3-Sulfolactate C3H4O6S -2 19/09/2018 Methionine and cysteine metabolism 3snpyr 3-Sulfinopyruvate C3H2O5S -2 C05527 6398963 1665 JXYLQEMXCAAMOL-UHFFFAOYSA-L HMDB01405 02/07/2014 Methionine and cysteine metabolism 3spyr 3-sulfonatopyruvate(2-) C3H2O6S -2 C05528 440717 16894 BUTHMSUEBYPMKJ-UHFFFAOYSA-L HMDB04045 02/07/2014 Methionine and cysteine metabolism 3tdcrn 3-hydroxy-tetradecanoyl carnitine C21H41NO5 0 GFAZJTUXMHGTOC-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation 3tetd7ecoa 3-hydroxy tetradecenoyl-7-coa C35H56N7O18P3S -4 WGCARZJTIJIWSL-UUVSMMHLSA-J 02/07/2014 Fatty acid oxidation 3tetd7ecoacrn 3-hydroxy tetradecenoyl-7-carnitine C21H39NO5 0 02/07/2014 Fatty acid oxidation 3thexddcoa 3-hydroxy trans7,10-hexadecadienoylcoa C37H58N7O18P3S -4 FODZOBVFWXSQFM-OPBNJXLTSA-J 02/07/2014 Fatty acid oxidation 3thexddcoacrn 3-hydroxy trans7,10-hexadecadienoyl carnitine C23H41NO5 0 02/07/2014 Fatty acid oxidation 3ttetddcoa 3-hydroxy trans5,8tetradecadienoyl coa C35H54N7O18P3S -4 SDWYDRDZISFNSH-DNBBPBRLSA-J 02/07/2014 Fatty acid oxidation 3ttetddcoacrn 3-hydroxy trans5,8tetradecadienoyl carnitine C21H37NO5 0 02/07/2014 Fatty acid oxidation 3u1ylala 3-(Uracil-1-yl)-L-alanine C7H9N3O4 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism 3uib 3-Ureidoisobutyrate C5H9N2O3 -1 C05100 160663 1670 PHENTZNALBMCQD-UHFFFAOYSA-M HMDB02031 02/07/2014 Pyrimidine catabolism 3ump 3-UMP(2-) C9H11N2O9P -2 C01368 101543 28895 FOGRQMPFHUHIGU-PSQAKQOGSA-L HMDB0060282 02/07/2014 Miscellaneous 3vctcl 3-Vinylcatechol C8H8O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 42A3HP24DB 4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate C10H8NO5 -1 C05645 440741 YCJNYHCCOXVYAF-UHFFFAOYSA-M HMDB04083 02/07/2014 Tryptophan metabolism 44dpnspr 4,4-Diaponeurosporene C30H42 C30H42 0 02/07/2014 Terpenoid backbone biosynthesis 44mctr 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol C29H46O 0 C11455 443212 17813 LFQXEZVYNCBVDO-PBJLWWPKSA-N HMDB01023 02/07/2014 Cholesterol metabolism 44mzym 14-demethyllanosterol C29H48O 0 C05108 50990081 18364 CHGIKSSZNBCNDW-QGBOJXOESA-N HMDB01286 02/07/2014 Cholesterol metabolism 45adhcrtsn 4,5alpha-Dihydrocortisone C21H30O5 0 19/09/2018 Steroid metabolism 45bdhcrtsn 4,5beta-Dihydrocortisone C21H30O5 0 19/09/2018 Steroid metabolism 46dhoxquin 4,6-Dihydroxyquinoline C9H7NO2 0 C05639 440738 28799 XFALURCRIGINGT-UHFFFAOYSA-N HMDB04077 02/07/2014 Tryptophan metabolism 48dhoxquin quinoline-4,8-diol C9H7NO2 0 C05637 440737 28883 PYELIMVFIITPER-UHFFFAOYSA-N HMDB0060289 02/07/2014 Tryptophan metabolism 4a3hbutnt 4-Amino-3-hydroxybutanoate C4H9NO3 0 19/09/2018 Tryptophan metabolism 4a5ic 4-Amino-5-imidazolecarboxylic acid C4H5N3O2 0 19/09/2018 Purine catabolism 4aabutn 4-acetamidobutanoate C6H10NO3 -1 C02946 18189 17645 UZTFMUBKZQVKLK-UHFFFAOYSA-M HMDB03681 02/07/2014 Arginine and proline metabolism 4aaold 4-Androsten-16alpha-ol-3,17-dione C19H26O3 0 19/09/2018 Steroid metabolism 4abut 4-Aminobutanoate C4H9NO2 0 C00334 119 16865 BTCSSZJGUNDROE-UHFFFAOYSA-N HMDB00112 02/07/2014 Arginine and proline metabolism 4abutn 4-Aminobutanal C4H10NO 1 C00555 118 17769 DZQLQEYLEYWJIB-UHFFFAOYSA-O HMDB01080 02/07/2014 Arginine and proline metabolism 4abz 4-Aminobenzoate C7H6NO2 -1 HMDB01392 02/07/2014 Aminobenzoate degradation 4adcho 4-amino-4-deoxychorismate C10H10NO5 -1 02/07/2014 Folate metabolism 4ahmmp 4-Amino-5-hydroxymethyl-2-methylpyrimidine C6H9N3O 0 02/07/2014 Thiamine metabolism 4ampm 4-Amino-2-methyl-5-phosphomethylpyrimidine C6H8N3O4P -2 02/07/2014 Purine catabolism 4aphdob 4-(2-aminophenyl)-2,4-dioxobutanoate C10H8NO4 -1 C01252 472 17442 CAOVWYZQMPNAFJ-UHFFFAOYSA-M HMDB00978 02/07/2014 Tryptophan metabolism 4aphe 4-Aminophenol C6H7NO 0 19/09/2018 Aminobenzoate degradation 4bhglz 4-beta-OH-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism 4c2hcism 4-Carboxy-2-hydroxy-cis,cis-muconate C7H3O7 -3 19/09/2018 Benzoate degradation 4c2hmsaldh 4-Carboxy-2-hydroxymuconate semialdehyde C7H4O6 -2 19/09/2018 Benzoate degradation 4c2me 4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol C14H23N3O14P2 -2 02/07/2014 Terpenoid backbone biosynthesis 4c2oxo3hex 4-Carboxy-2-oxo-3-hexenedioate C7H6O7 C7H3O7 -3 C05364 01/07/2019 Benzoate degradation 4chhddnt 4-Carboxy-2-hydroxyhexa-2,4-dienedioate C7H3O7 -3 19/09/2018 Aminobenzoate degradation 4chlctchl 4-Chlorocatechol C6H5O2Cl 0 19/09/2018 Benzoate degradation 4chlt3one 4-Cholesten-3-one C27H44O 0 19/09/2018 Steroid metabolism 4chpheac 4-Chlorophenyl acetate C8H6O2Cl -1 19/09/2018 Xenobiotics metabolism 4co4pnt 4-Carboxy-2-oxo-4-pentenoate C6H4O5 -2 19/09/2018 Benzoate degradation 4coum 4_Coumarate X 0 02/07/2014 4dadg4edgalur 4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate C12H14O12 -2 19/09/2018 Plant polysaccharide degradation 4dh_tpno 4-Dehydroxytempol C9H17NO C9H17NO 0 01/03/2019 Drug metabolism 4dh_tpno_1glc 4-Dehydroxytempol 1-O-Glucuronide C15H25NO7 C15H25NO7 0 01/03/2019 Drug metabolism 4dnpmcn 4-Demethylpremithramycinone C20H15O9 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 4fbnzt 4-Fluorobenzoate C7H4O2F -1 19/09/2018 Fluorobenzoate degradation 4fch1c 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H6O4F -1 19/09/2018 Fluorobenzoate degradation 4fchdl 4-Fluorocyclohexadiene-cis,cis-1,2-diol C6H7O2F 0 19/09/2018 Xenobiotics metabolism 4fctcl 4-Fluorocatechol C6H5O2F 0 19/09/2018 Fluorobenzoate degradation 4flthr 4-Fluoro-L-threonine C4H8NO3F 0 19/09/2018 Xenobiotics metabolism 4fumacac 4-fumarylacetoacetate(2-) C8H6O6 -2 C01061 5280398 30907 GACSIVHAIFQKTC-OWOJBTEDSA-L HMDB01268 02/07/2014 Tyrosine metabolism 4glu56dihdind 4-S-Glutathionyl-5,6-Dihydroxyindoline C18H23N4O8S -1 OWLBFEJNNSEXED-ONGXEEELSA-M 03/01/2017 Tyrosine metabolism 4gnlcpmd 4-Glutathionyl cyclophosphamide C17H29N5O8PSCl2 -1 19/09/2018 Xenobiotics metabolism 4gubut 4-Guanidinobutanoate C5H11N3O2 C5H11N3O2 0 HMDB03464 02/07/2014 Arginine and proline metabolism 4gudbd 4-Guanidinobutanamide C5H12N4O C5H13N4O 1 02/07/2014 Arginine and proline metabolism 4h2kpi 4-Hydroxy-2-ketopimelate C7H8O6 0 02/07/2014 Others 4h2oglt 4-hydroxy-2-oxoglutarate(2-) C5H4O6 -2 C01127 599 30923 WXSKVKPSMAHCSG-UHFFFAOYSA-L HMDB02070 02/07/2014 Alanine and aspartate metabolism 4h2ohxnt 4-Hydroxy-2-oxohexanoate C6H9O4 -1 19/09/2018 Benzoate degradation 4h2opntn 4-Hydroxy-2-oxopentanoate C5H7O4 -1 02/07/2014 Benzoate degradation 4h2oxg D_4_Hydroxy_2_oxoglutarate C5H4O6 0 02/07/2014 4h3ppbzt 4-Hydroxy-3-polyprenylbenzoate C17H21O3 -1 19/09/2018 Benzoate degradation 4hacd 4-Hydroxyacid C4H7O3 -1 19/09/2018 Galactose metabolism 4haqnlno 4-Hydroxyaminoquinoline N-oxide C9H8N2O2 0 19/09/2018 Xenobiotics metabolism 4hatvacid 4-hydroxy-atorvastatin-acid / para-hydroxy-atorvastatin acid C33H35FN2O6 C33H34FN2O6 -1 02/07/2014 Drug metabolism 4hatvlac 4-hydroxy-atorvastatin-lactone / para-hydroxy-atorvastatin lactone C33H33FN2O5 C33H33FN2O5 0 02/07/2014 Drug metabolism 4hba 4-Hydroxy-benzyl alcohol C7H8O2 0 02/07/2014 Aminobenzoate degradation 4hbald 4-Hydroxybenzaldehyde (iJN746) C7H6O2 C7H6O2 0 HMDB11718 08/03/2016 Aminobenzoate degradation 4hbutcoa 4-Hydroxybutyryl-CoA C25H42N7O18P3S C25H38N7O18P3S -4 C11062 28522 02/07/2014 Butanoate metabolism 4hbz 4-hydroxybenzoate C7H5O3 -1 C00156 135 30763 FJKROLUGYXJWQN-UHFFFAOYSA-M HMDB00500 02/07/2014 Aminobenzoate degradation 4hbzACP 4-hydroxybenzoyl ACP (iMEO21) C18H25N2O9PRS -1 08/03/2016 Fatty acid synthesis 4hbzcoa 4-hydroxybenoyl-CoA C28H36N7O18P3S -4 C02949 LTVXPVBFJBTNIJ-TYHXJLICSA-J HMDB06467 02/07/2014 Ubiquinone synthesis 4hcnmylaldh 4-Hydroxycinnamyl aldehyde C9H8O2 0 19/09/2018 Phenylpropanoid biosynthesis 4hcnmyloh 4-Hydroxycinnamyl alcohol C9H10O2 0 19/09/2018 Phenylpropanoid biosynthesis 4hdebrisoquine 4 hydroxy debrisoquine C10H14N3O 1 107669 63800 AKFURXZANOMQBD-UHFFFAOYSA-O HMDB06468 02/07/2014 Cytochrome metabolism 4hdxbutn 4-Hydroxybutanoate C4H8O3 C4H7O3 -1 C00989 10413 30830 SJZRECIVHVDYJC-UHFFFAOYSA-N OCCCC(O)=O HMDB00710 02/07/2014 Butanoate metabolism 4hexdtetcoa 4,7,10,13-hexadecatetraenoylcoa C37H54N7O17P3S -4 JTUHLFLWSYGZLP-WADDQEABSA-J 02/07/2014 Fatty acid oxidation 4hexdtricoa 4,7,10-hexadecatrienoylcoa C37H56N7O17P3S -4 YYLOAXRAIXUEOW-LTIZAJKCSA-J 02/07/2014 Fatty acid oxidation 4hglu 4_Hydroxy_L_glutamate C5H8NO5 0 02/07/2014 4hglusa L-4-hydroxyglutamic semialdehyde C5H9NO4 0 C05938 440851 27809 XCXUZPXOFFRGGP-DMTCNVIQSA-N HMDB06556 02/07/2014 Arginine and proline metabolism 4hmcachl 4-Hydroxymethylcatechol C7H8O3 C7H8O3 0 02/07/2014 Naphthalene degradation 4hmdgluc 4-OH-midazolam-glucuronide C24H21ClFN3O7 C24H20ClFN3O7 -1 02/07/2014 Drug metabolism 4hmsaclt 4-Hydroxymethylsalicylate C8H8O4 C8H7O4 -1 02/07/2014 Naphthalene degradation 4hoxpac 4-Hydroxyphenylacetate C8H7O3 0 02/07/2014 Tyrosine metabolism 4hoxpacd (4-hydroxyphenyl)acetaldehyde C8H8O2 0 C03765 440113 15621 IPRPPFIAVHPVJH-UHFFFAOYSA-N HMDB03767 02/07/2014 Primary amine metabolism 4hphac 4-hydroxyphenylacetate C8H7O3 -1 C00642 127 18101 XQXPVVBIMDBYFF-UHFFFAOYSA-M HMDB00020 02/07/2014 Phenylalanine metabolism 4hphacp Hydroxyphehylacetyl phosphate C8H9O6P C8H7O6P -2 20/12/2017 Tyrosine metabolism 4hpro_D cis-4-Hydroxy-D-proline C5H9NO3 C5H9NO3 0 C03440 440014 57690 PMMYEEVYMWASQN-QWWZWVQMSA-N HMDB0060460 02/07/2014 Arginine and proline metabolism 4hpro_LT trans-4-hydroxy-L-proline C5H9NO3 0 C01157 5810 18095 PMMYEEVYMWASQN-DMTCNVIQSA-N HMDB00725 02/07/2014 Arginine and proline metabolism 4hthdp 4-hydroxy-tetrahydrodipicolinate C7H9NO4 C7H7NO5 -2 C20258 12/07/2018 Lysine metabolism 4hthr 4-Hydroxy-L-threonine C4H9NO4 0 02/07/2014 Vitamin B6 metabolism 4imidzln 4-Imidazolone C3H3N2O -1 19/09/2018 Purine catabolism 4izp 4-Imidazolone-5-propanoate C6H7N2O3 -1 C03680 128 27384 MYNHYKDPSRPBNZ-UHFFFAOYSA-N HMDB01014 02/07/2014 Histidine metabolism 4m3hhexACP 4-methyl-3-hydroxy-hexanoyl-ACP C18H33N2O9PRS -1 02/07/2014 Fatty acid synthesis 4m3hpentACP 4-methyl-3-hydroxy-pentanoyl-ACP C17H31N2O9PRS -1 02/07/2014 Fatty acid synthesis 4m3ohexACP 4-methyl-3-oxo-hexanoyl-ACP C18H31N2O9PRS -1 02/07/2014 Fatty acid synthesis 4m3opentACP 4-methyl-3-oxo-pentanoyl-ACP C17H29N2O9PRS -1 02/07/2014 Fatty acid synthesis 4mabal 4-Methylaminobutanal C5H12NO 1 19/09/2018 Arginine and proline metabolism 4mabtrt 4-Methylaminobutyrate C5H11NO2 0 19/09/2018 Nicotine degradation 4mbfrlact 4-Methylumbelliferyl acetate C12H10O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 4mboh 4-Methylbenzyl alcohol C8H10O 0 19/09/2018 Xenobiotics metabolism 4mcat 4-Methylcatechol C7H8O2 C7H8O2 0 C06730 9958 ZBCATMYQYDCTIZ-UHFFFAOYSA-N HMDB00873 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism 4mcbiphe 4-Monochloro-biphenyl C12H9Cl 0 19/09/2018 Dioxin degradation 4met2obut 4_Methylthio_2_oxobutanoate X 0 02/07/2014 4mhetz 4-Methyl-5-(2-hydroxyethyl)-thiazole C6H9NOS 0 HMDB0032985 02/07/2014 Thiamine metabolism 4mhexACP 4-methyl-hexanoyl-ACP C18H33N2O8PRS -1 02/07/2014 Fatty acid synthesis 4mlacac 4-maleylacetoacetate C8H6O6 -2 C01036 5280393 47904 GACSIVHAIFQKTC-UPHRSURJSA-L HMDB02052 02/07/2014 Tyrosine metabolism 4mmlctn 4-Methylmuconolactone C7H7O4 -1 19/09/2018 Toluene degradation 4mop 4-methyl-2-oxopentanoate C6H9O3 -1 C00233 70 48430 BKAJNAXTPSGJCU-UHFFFAOYSA-M HMDB00695 02/07/2014 Miscellaneous 4mpentACP 4-methyl-pentanoyl-ACP C17H31N2O8PRS -1 02/07/2014 Fatty acid synthesis 4mpetz 4-Methyl-5-(2-phosphoethyl)-thiazole C6H8NO4PS -2 02/07/2014 Thiamine metabolism 4mptnl 4-methylpentanal C6H12O 0 C02373 129 17998 JGEGJYXHCFUMJF-UHFFFAOYSA-N HMDB01318 02/07/2014 Steroid metabolism 4mthex2eACP 4-methyl-trans-hex-2-enoyl-ACP C18H31N2O8PRS -1 02/07/2014 Fatty acid synthesis 4mtob 4-methyl-thio-oxo-butyrate C5H8O3S C5H7O3S -1 SXFSQZDSUWACKX-UHFFFAOYSA-M HMDB13210 18/09/2014 Methionine and cysteine metabolism 4mtolbutamide 4 hydroxy tolbutamide C12H18N2O4S 0 3656 63799 SJRHYONYKZIRPM-UHFFFAOYSA-N HMDB06408 02/07/2014 Cytochrome metabolism 4mtpent2eACP 4-methyl-trans-pent-2-enoyl-ACP C17H29N2O8PRS -1 02/07/2014 Fatty acid synthesis 4mzym_int1 4-Methylzymosterol intermediate 1 C29H46O3 0 C15808 23724596 MYWAIWDQTCHPTH-YCIQJMEESA-N HMDB01181 02/07/2014 Cholesterol metabolism 4mzym_int2 4-Methylzymosterol intermediate 2 C28H44O 0 C15816 53477900 505093 DBPZYKHQDWKORQ-PHTXCTJVSA-N HMDB06838 02/07/2014 Cholesterol metabolism 4nph 4-nitrophenolate C6H5NO3 0 C00870 980 16836 BTJIUGUIPKRLHP-UHFFFAOYSA-N HMDB01232 02/07/2014 Cytochrome metabolism 4nphsf 4-Nitrophenyl sulfate C6H4NO6S -1 80349 35422 JBGHTSSFSSUKLR-UHFFFAOYSA-M HMDB06492 02/07/2014 Cytochrome metabolism 4nqnln1o 4-Nitroquinoline 1-oxide C9H6N2O3 0 19/09/2018 Xenobiotics metabolism 4obgslpc 4-O-beta-D-Glucosyl-cis-p-coumarate C15H17O8 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism 4oh_dcf 4-Hydroxydiclofenac C14H11Cl2NO3 C14H10Cl2NO3 -1 116545 01/03/2019 Drug metabolism 4oh_dcf_glc 4-Hydroxydiclofenac Glucuronide C20H19Cl2NO9 C20H18Cl2NO9 -1 01/03/2019 Drug metabolism 4oh_kp 4-Hydroxybenzyl Ketoprofen C16H14O4 C16H13O4 -1 01/03/2019 Drug metabolism 4oh_kp_glc 4-Hydroxybenzyl Ketoprofen Glucuronide C22H22O10 C22H21O10 -1 01/03/2019 Drug metabolism 4oh_levole 4-Hydroxy Levamisole (M1) C11H12N2OS C11H12N2OS 0 125758 01/03/2019 Drug metabolism 4oh_levole_glc 4-Hydroxy Levamisole Glucuronide C17H20N2O7S C17H19N2O7S -1 01/03/2019 Drug metabolism 4oh_meth 4-Hydroxymethamphetamine C10H15NO C10H16NO 1 01/03/2019 Drug metabolism 4oh_meth_glc 4-Hydroxymethamphetamine Glucuronide C16H23NO7 C16H24NO7 1 01/03/2019 Drug metabolism 4oh_propl 4-Hydroxypropanolol C16H21NO3 C16H22NO3 1 01/03/2019 Drug metabolism 4oh_propl_glc 4-Hydroxypropranolol Glucuronide C22H29NO9 C22H29NO9 0 01/03/2019 Drug metabolism 4oh_trz 4-Hydroxytriazolam C17H12Cl2N4O C17H12Cl2N4O 0 128260 01/03/2019 Drug metabolism 4oh_trz_glc 4-Hydroxy Triazolam Glucuronide C23H20Cl2N4O7 C23H19Cl2N4O7 -1 92132363 01/03/2019 Drug metabolism 4oh_vcz 4-Hydroxyvoriconazole C16H14F3N5O2 C16H14F3N5O2 0 13117012 01/03/2019 Drug metabolism 4oh_vcz_glc 4-Hydroxyvoriconazole Glucuronide C22H22F3N5O8 C22H22F3N5O8 0 01/03/2019 Drug metabolism 4ohbut 4-Hydroxy-Butyrate C4H7O3 -1 C00989 3037032 SJZRECIVHVDYJC-UHFFFAOYSA-M HMDB0015507 03/01/2017 Glutamate metabolism 4ohmdz 4-OH-midazolam C18H13ClFN3O C18H13ClFN3O 0 02/07/2014 Drug metabolism 4pasp 4-Phospho-L-aspartate C4H6NO7P -2 02/07/2014 Alanine and aspartate metabolism 4pentcoa 4-pentenoyl-CoA C26H42N7O17P3S C26H38N7O17P3S -4 21/06/2018 Valerate metabolism 4per 4-Phospho-D-erythronate C4H6O8P -3 02/07/2014 Vitamin B6 metabolism 4ppan D-4-Phosphopantothenate C9H15NO8P -3 C03492 131 15905 XHFVGHPGDLDEQO-ZETCQYMHSA-K HMDB01016 02/07/2014 CoA synthesis 4ppcys N-((R)-4-Phosphopantothenoyl)-L-cysteine C12H20N2O9PS -3 C04352 440304 15769 XQYALQVLCNHCFT-CBAPKCEASA-K HMDB01117 02/07/2014 CoA catabolism 4pyrdx 4-pyridoxate C8H9NO4 0 C00847 6723 17405 HXACOUQIXZGNBF-UHFFFAOYSA-N HMDB00017 02/07/2014 Vitamin B6 metabolism 4pyrdxlctn 4-Pyridoxolactone C8H7NO3 0 19/09/2018 Vitamin B6 metabolism 4r5au 4-(1-D-Ribitylamino)-5-aminouracil C9H16N4O6 0 02/07/2014 Vitamin B2 metabolism 4sbaldh 4-Sulfobenzaldehyde C7H5O4S -1 19/09/2018 Xenobiotics metabolism 4sbnzt 4-Sulfobenzoate C7H4O5S -2 19/09/2018 Xenobiotics metabolism 4sp2kchccoa 4-Isopropenyl-2-ketocyclohexane-1-carboxyl-CoA C31H45N7O18P3S -3 19/09/2018 Xenobiotics metabolism 4tmeabut 4-trimethylammoniobutanal C7H16NO 1 C01149 133 18020 OITBLCDWXSXNCN-UHFFFAOYSA-N HMDB01345 02/07/2014 Lysine metabolism 4tmeabutn 4-(trimethylammonio)butanoate C7H15NO2 0 C01181 134 1941 JHPNVNIEXXLNTR-UHFFFAOYSA-N HMDB01161 02/07/2014 Lysine metabolism 4vcoum 4_vinyl_p_coumaric_acid X 0 02/07/2014 4vnlphe 4-Vinylphenol C8H8O 0 19/09/2018 Phenylalanine metabolism 56dhpvs 3-keto-5,6,-dihydroxy-pravastatin C23H35NaO9 C23H35NaO9 0 02/07/2014 Drug metabolism 56dihindlcrbxlt 5,6-dihydroxyindole-2-carboxylate C9H6NO4 -1 C04185 119405 2003 YFTGOBNOJKXZJC-UHFFFAOYSA-M HMDB01253 02/07/2014 Tyrosine metabolism 56dthm 5,6-dihydrothymine C5H8N2O2 0 C00906 93556 27468 NBAKTGXDIBVZOO-UHFFFAOYSA-N HMDB00079 02/07/2014 Pyrimidine catabolism 56dura 5,6-dihydrouracil C4H6N2O2 0 C00429 649 15901 OIVLITBTBDPEFK-UHFFFAOYSA-N HMDB00076 02/07/2014 Pyrimidine catabolism 56eppvs 5,6-epoxy-3-alpha-iso-pravastatin C23H35NaO8 C23H35NaO8 0 02/07/2014 Drug metabolism 5a2opntn 5-amino-2-oxopentanoic acid C5H9NO3 0 C01110 439402 49268 BWHGMFYTDQEALD-UHFFFAOYSA-N HMDB06272 02/07/2014 Arginine and proline metabolism 5a3ohex 3-keto-5-aminohexanoate C6H11NO3 C6H10NO3 -1 C03656 440077 FAASBXNEOGMQHS-BYPYZUCNSA-N HMDB0012131 23/02/2015 Butanoate metabolism 5a4icamide 5-Amino-4-imidazolecarboxyamide C4H6N4O 0 C04051 21/05/2021 Purine synthesis 5achltn3one 5alpha-Cholestan-3-one C27H46O 0 19/09/2018 Steroid metabolism 5adtststerone 17beta-hydroxy-5alpha-androstan-3-one C19H30O2 0 C03917 10635 16330 NVKAWKQGWWIWPM-ABEVXSGRSA-N HMDB02961 02/07/2014 Androgen and estrogen synthesis and metabolism 5adtststeroneglc 5alpha-Dihydrotestosterone glucuronide C25H38O8 0 C03033 44263365 CLQMBSSRTBUNDV-HRPCFKRRSA-N HMDB06203 02/07/2014 Steroid metabolism 5adtststerones 5alpha-Dihydrotestosterone sulfate C19H29O5S -1 18665256 KYVPWJSGFKNNLD-ABEVXSGRSA-M HMDB06278 02/07/2014 Androgen and estrogen synthesis and metabolism 5aidzl 5-Aminoimidazole C3H6N3 1 19/09/2018 Xenobiotics metabolism 5aizc 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate C9H11N3O9P -3 C04751 165388 28413 XFVULMDJZXYMSG-ZIYNGMLESA-K HMDB06273 02/07/2014 Purine catabolism 5aop 5-Amino-4-oxopentanoate C5H9NO3 0 C00430 137 17549 ZGXJTSGNIOSYLO-UHFFFAOYSA-N HMDB01149 02/07/2014 Glycine, serine, alanine, and threonine metabolism 5apentam 5-Aminopentanamide C5H12N2O C5H13N2O 1 HMDB0012176 02/07/2014 Lysine metabolism 5apntnl 5-Aminopentanal C5H12NO 1 19/09/2018 Arginine and proline metabolism 5aprbu 5-Amino-6-(5-phosphoribitylamino)uracil C9H15N4O9P -2 02/07/2014 Vitamin B2 metabolism 5apru 5-Amino-6-(5-phosphoribosylamino)uracil C9H13N4O9P -2 02/07/2014 Vitamin B2 metabolism 5aptn 5-Aminopentanoate C5H11NO2 C5H11NO2 0 C00431 138 15887 JJMDCOVWQOJGCB-UHFFFAOYSA-N NCCCCC(O)=O HMDB03355 02/07/2014 Arginine and proline metabolism 5asa 5-Aminosalicylic Acid (Mesalamine) C7H7NO3 C7H6NO3 -1 4075 01/03/2019 Drug metabolism 5batndn 5beta-Androstane-3,17-dione C19H28O2 0 19/09/2018 Steroid metabolism 5bce46dhp 5-(beta-Carboxyethyl)-4,6-dihydroxypicolinate C9H7NO6 -2 19/09/2018 Tryptophan metabolism 5bdhtstrn 5beta-Dihydrotestosterone C19H30O2 0 19/09/2018 Steroid metabolism 5bfe46dhp 5-(beta-Formylethyl)-4,6-dihydroxypicolinate C9H8NO5 -1 19/09/2018 Tryptophan metabolism 5bprgnbdn 5beta-Pregnane-11beta,21-diol-3,20-dione C21H32O4 0 19/09/2018 Steroid metabolism 5c2o3ed 5-Carboxy-2-oxohept-3-enedioate C8H8O7 C8H5O7 -3 C04052 6753 15924 02/07/2014 Tyrosine metabolism 5caiz 5-phosphoribosyl-5-carboxyaminoimidazole C9H11N3O9P -3 02/07/2014 Purine synthesis 5cm2hmu 5-Carboxymethyl-2-hydroxymuconate C8H8O7 C8H5O7 -3 2040 02/07/2014 Tyrosine metabolism 5cmhm 5-Carboxymethyl-2-hydroxymuconate X 0 02/07/2014 5cmhmsa 5-Carboxymethyl-2-hydroxymuconate semialdehyde C8H8O6 C8H6O6 -2 C04642 7231 17142 [H]C(=O)C(\CC(O)=O)=C/C=C(\O)C(O)=O 02/07/2014 Tyrosine metabolism 5cohe 5-Carboxy-2-oxohept-3-enedioate X 0 02/07/2014 5cysdopa 5-S-Cysteinyldopamine C11H17N2O4S 1 BZYHBWCVRKSWDB-ZETCQYMHSA-O 03/01/2017 Tyrosine metabolism 5cysgly34dhphe 5-S-Cysteinylglycine Dopa C14H19N3O7S 0 BEKGUNWQTPPXTG-JAMMHHFISA-N 03/01/2017 Tyrosine metabolism 5dgclur 5-Deoxy glucuronic acid C6H10O6 C6H9O6 -1 02/07/2014 Inositol phosphate metabolism 5dglcn 5-Dehydro-D-gluconate C6H9O7 -1 02/07/2014 Ascorbate and aldarate metabolism 5dh4dglc 5-Dehydro-4-deoxy-D-glucarate C6H6O7 -2 02/07/2014 Ascorbate and aldarate metabolism 5dh4dglcn 5-dehydro-4-deoxy-D-glucuronate C6H7O6 -1 C04053 04/04/2022 Pentose and glucuronate interconversions 5dhf pentaglutamyl folate (DHF) C39H43N11O18 -6 73374 CTJXQGDEZPVUGK-GKBRVULUSA-H HMDB06487 02/07/2014 Folate metabolism 5dleuccyan 5-Deoxyleucocyanidin C15H14O6 C15H14O6 0 C09736 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 5dleucpelargn 5-Deoxyleucopelargonidin C15H14O5 C15H14O5 0 C16415 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism 5dpmev (R)-5-Diphosphomevalonate C6H10O10P2 -4 C01143 439418 15899 SIGQQUBJQXSAMW-ZCFIWIBFSA-J HMDB01090 02/07/2014 Cholesterol metabolism 5drib 5-deoxyribose C5H10O4 0 02/07/2014 Arginine and proline metabolism 5eipenc 5,8,11,14,17-Eicosapentenoic Acid C20H29O2 -1 PWUCSTGNRWELJL-LRKAYDMASA-M 03/01/2017 Fatty acid oxidation 5eipencoa 5,8,11,14,17-eicosapentenoylcoa C41H60N7O17P3S -4 JWZLRYCDDXHXDL-LCMHIRPZSA-J 02/07/2014 Fatty acid oxidation 5fch1c 5-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H6O4F -1 19/09/2018 Fluorobenzoate degradation 5fdouri 5-Fluorodeoxyuridine C9H11N2O5F 0 19/09/2018 Xenobiotics metabolism 5fdourimp 5-Fluorodeoxyuridine monophosphate C9H11N2O8PF -1 19/09/2018 Xenobiotics metabolism 5fmcnlctn 5-Fluoromuconolactone C6H4O4F -1 19/09/2018 Xenobiotics metabolism 5forthf 5-Formiminotetrahydrofolate C20H22N8O6 -2 C00664 530 57456 YCWUVLPMLLBDCU-ZVBGSRNCSA-L HMDB01534 02/07/2014 Folate metabolism 5fothf 5_Formyltetrahydrofolate C20H21N7O7 0 02/07/2014 5fth4mpt N(5)-formyl-5,6,7,8-tetrahydromethanopterin C31H45N6O17P C31H42N6O17P -3 C01274 4493 58018 02/07/2014 Methane metabolism 5fthf 5-formyltetrahydrofolate(2-) C20H21N7O7 -2 C03479 143 63606 VVIAGPKUTFNRDU-UHFFFAOYSA-L HMDB01562 02/07/2014 Folate metabolism 5fura 5-Fluorouracil C4H3N2O2F 0 19/09/2018 Drug metabolism 5furi 5-Fluorouridine C9H11N2O6F 0 19/09/2018 Xenobiotics metabolism 5furimp 5-Fluorouridine monophosphate C9H11N2O9PF -1 19/09/2018 Xenobiotics metabolism 5g2oxpt 5-guanidino-2-oxopentanoic acid C6H11N3O3 0 C03771 558 28116 ARBHXJXXVVHMET-UHFFFAOYSA-N HMDB04225 02/07/2014 Arginine and proline metabolism 5gdgp 5-L-Glutamyl-D-glutamyl-peptide C10H14N3O6R -2 19/09/2018 Glutamate metabolism 5gdn2opt 5-Guanidino-2-oxopentanoate C6H11N3O3 0 19/09/2018 D-Arginine and D-ornithine metabolism 5h2pentcoa 5-Hydroxy-2-pentenoyl-CoA C26H42N7O18P3S C26H38N7O18P3S -4 10/06/2018 Valerate metabolism 5hcaldh 5-Hydroxyconiferaldehyde C10H10O4 0 19/09/2018 Isoquinoline alkaloid biosynthesis 5hcoh 5-Hydroxyconiferyl alcohol C10H12O4 0 19/09/2018 Methionine and cysteine metabolism 5hfrlt 5-Hydroxyferulate C10H9O5 -1 19/09/2018 Isoquinoline alkaloid biosynthesis 5homeprazole 5 hydroxy omeprazole C17H19N3O4S 0 CMZHQFXXAAIBKE-UHFFFAOYSA-N 02/07/2014 Cytochrome metabolism 5hoxindact (5-hydroxyindol-3-yl)acetaldehyde C10H9NO2 0 C05634 74688 50157 OBFAPCIUSYHFIE-UHFFFAOYSA-N HMDB04073 02/07/2014 Tryptophan metabolism 5hoxindoa 5-Hydroxyindoleacetate C10H8NO3 -1 C05635 1826 27823 DUUGKQCEGZLZNO-UHFFFAOYSA-M HMDB00763 02/07/2014 Tryptophan metabolism 5hoxnfkyn 5-hydroxy-N-formylkynurenine C11H12N2O5 0 C05648 440744 2065 LSTOUSIIVKMJBU-UHFFFAOYSA-N HMDB04086 02/07/2014 Tryptophan metabolism 5HPET 5(S)-HPETE(1-) C20H31O4 -1 C05356 5280778 15632 JNUUNUQHXIOFDA-DHORPKIASA-M HMDB01193 02/07/2014 Arachidonic acid metabolism 5hptn 5-Hydroxypentanoate C5H10O3 C5H9O3 -1 C02804 10/06/2018 5hptncoa 5-Hydroxypentanoyl-CoA C26H44N7O18P3S C26H40N7O18P3S -4 C03237 10/06/2018 5htrp 5-hydroxy-L-tryptophan C11H12N2O3 0 C01017 144 28171 LDCYZAJDBXYCGN-UHFFFAOYSA-N HMDB00472 02/07/2014 Tetrahydrobiopterin metabolism 5hval 5-Hydroxyvalerate,5-Hydroxypentanoate C5H10O3 C5H9O3 -1 C02804 10/06/2018 Valerate metabolism 5hvalcoa 5-Hydroxyvaleryl-CoA,5-Hydroxypentanoyl-CoA C26H44N7O18P3S C26H40N7O18P3S -4 C03237 10/06/2018 Valerate metabolism 5hxkyn 5-hydroxykynurenine C10H12N2O4 0 C05651 440745 2076 OTDQYOVYQQZAJL-UHFFFAOYSA-N HMDB0012819 02/07/2014 Tryptophan metabolism 5hxkynam 5-Hydroxykynurenamine C9H13N2O2 1 C05638 164719 28715 JANBBPTXDKFOQR-UHFFFAOYSA-O HMDB04076 02/07/2014 Tryptophan metabolism 5hxthtxn 5-Hydroxyxanthotoxin C12H8O5 0 19/09/2018 Isoquinoline alkaloid biosynthesis 5hxudidzcba 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate C5H6N4O5 C5H5N4O5 -1 02/07/2014 Purine catabolism 5lgaa 5-L-Glutamyl amino acid C7H9N2O5R -2 19/09/2018 Glutathione metabolism 5lgp (5-L-Glutamyl)-peptide C9H11N3O6R2 -2 19/09/2018 Glutathione metabolism 5lgt 5-L-Glutamyl-taurine C7H13N2O6S -1 19/09/2018 Glutathione metabolism 5m3hhexACP 5-methyl-3-hydroxy-hexanoyl-ACP C18H33N2O9PRS -1 02/07/2014 Fatty acid synthesis 5m3ohexACP 5-methyl-3-oxo-hexanoyl-ACP C18H31N2O9PRS -1 02/07/2014 Fatty acid synthesis 5mdoctdndp 5-Methyldeoxycytidine diphosphate C10H15N3O10P2 -2 19/09/2018 Xenobiotics metabolism 5mdr1p 5-Methylthio-5-deoxy-D-ribose 1-phosphate C6H11O7PS -2 C04188 53477720 27859 JTFITTQBRJDSTL-KVTDHHQDSA-L HMDB00963 02/07/2014 Arginine and proline metabolism 5mdru1p 5-Methylthio-5-deoxy-D-ribulose 1-phosphate C6H11O7PS -2 C04582 174549 28096 CNSJRYUMVMWNMC-RITPCOANSA-L HMDB01299 02/07/2014 Arginine and proline metabolism 5mh24dnlcoa (2E)-5-Methylhexa-2,4-dienoyl-CoA C28H40N7O17P3S -4 12/11/2020 Geraniol degradation 5mhexACP 5-methyl-hexanoyl-ACP C18H33N2O8PRS -1 02/07/2014 Fatty acid synthesis 5mhx4coa 5-Methylhex-4-enoyl-CoA" C28H42N7O17P3S -4 12/11/2020 Geraniol degradation 5mohcoa 5-Methyl-3-oxo-4-hexenoyl-CoA C28H41N7O18P3S -3 19/09/2018 Fatty acid oxidation 5moxact 5-Methoxyindoleacetate C11H10NO3 -1 C05660 18986 235589 COCNDHOPIHDTHK-UHFFFAOYSA-M HMDB04096 02/07/2014 Tryptophan metabolism 5mta 5-Methylthioadenosine C11H15N5O3S 0 C00170 439176 17509 WUUGFSXJNOTRMR-IOSLPCCCSA-N HMDB01173 02/07/2014 Arginine and proline metabolism 5mtc 5-Methylcytosine C5H7N3O C5H7N3O 0 HMDB02894 02/07/2014 Methionine and cysteine metabolism 5mthex2eACP 5-methyl-trans-hex-2-enoyl-ACP C18H31N2O8PRS -1 02/07/2014 Fatty acid synthesis 5mthf 5-Methyltetrahydrofolate C20H24N7O6 -1 C00440 439234 15641 ZNOVTXRBGFNYRX-ABLWVSNPSA-M HMDB01396 02/07/2014 Folate metabolism 5mthglu 5_Methyltetrahydropteroyltri_L_glutamate C25H34N8O12 0 02/07/2014 Methionine and cysteine metabolism 5mtr 5-Methylthio-D-ribose C6H12O4S 0 02/07/2014 Arginine and proline metabolism 5mtrptmn 5-Methoxytryptamine C11H15N2O 1 19/09/2018 Tryptophan metabolism 5odhf2a 5-Oxo-4,5-dihydrofuran-2-acetate C6H5O4 -1 02/07/2014 Benzoate degradation 5odpro 5-Oxo-D-proline C5H6NO3 -1 19/09/2018 Glutamate metabolism 5oh_sulfp 5-Hydroxy-Sulfapyridine C11H11N3O3S C11H10N3O3S -1 01/03/2019 Drug metabolism 5oh_sulfp_glc 5-Hydroxy-Sulfapyridine-O-Glucuronide C17H19N3O9S C17H18N3O9S -1 01/03/2019 Drug metabolism 5ohfvs 5-hydroxy-fluvastatin C24H25FNNaO5 C24H25FNNaO5 0 02/07/2014 Drug metabolism 5ohfvsglu 5-hydroxy-fluvastatin-glucuronide C30H33FNNaO11 C30H32FNNaO11 -1 02/07/2014 Drug metabolism 5ohhexa 5-Hydroxyhexanoic Acid C6H11O3 -1 YDCRNMJQROAWFT-UHFFFAOYSA-M 03/01/2017 Fatty acid oxidation 5oxpro 5-oxoprolinate C5H6NO3 -1 C01879 7405 18183 ODHCTXKNWHHXJC-VKHMYHEASA-M HMDB00267 02/07/2014 Glutamate metabolism 5phoznd 5-Phenyl-1,3-oxazinane-2,4-dione C10H9NO3 0 19/09/2018 Xenobiotics metabolism 5pmev (R)-5-phosphonatomevalonate(3-) C6H10O7P -3 C01107 439400 17436 OKZYCXHTTZZYSK-ZCFIWIBFSA-K HMDB01343 02/07/2014 Cholesterol metabolism 5prdmbz N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole C14H17N2O7P -2 02/07/2014 NAD metabolism 5pyrdxt 5-Pyridoxate C8H8NO4 -1 19/09/2018 Vitamin B6 metabolism 5tedtricoa 5,8,11-tetradecatrienoylcoa C35H52N7O17P3S -4 GCYTYHFHNKAQNO-IHPJTWNPSA-J 02/07/2014 Fatty acid oxidation 5thf pentaglutamyl folate (THF) C39H45N11O18 -6 QSLXQTFZZNUUPV-WYJPSZIUSA-H 02/07/2014 Folate metabolism 5ud4imdzcxl 5-Ureido-4-imidazole carboxylate C5H5N4O3 -1 19/09/2018 Purine catabolism 6a2ohxnt 6-amino-2-oxohexanoic acid C6H11NO3 0 C03239 439954 17534 GWENQMVPLJAMAE-UHFFFAOYSA-N HMDB0012151 02/07/2014 Lysine metabolism 6abdgalsd 6-Acetyl-beta-D-galactoside C8H13O7R 0 19/09/2018 N-glycan degradation 6adxft 6-Amino-6-deoxyfutalosine C19H19N5O6 C19H19N5O6 0 C20773 254741240 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis 6ahglz 6-alpha-OH-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism 6ahnt 6-Aminohexanoate C6H13NO2 0 19/09/2018 Caprolactam degradation 6amd2ohxnt 6-Acetamido-2-oxohexanoate C8H12NO4 -1 19/09/2018 Lysine metabolism 6amh6ahnt N-(6-Aminohexanoyl)-6-aminohexanoate C12H24N2O3 0 19/09/2018 Caprolactam degradation 6apclnt 6-Aminopenicillanic acid C8H11N2O3S -1 19/09/2018 Xenobiotics metabolism 6bhglz 6-beta-OH-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism 6bhglzglc 6-beta-OH-gliclazide-glucuronide C21H29N3O10S C21H27N3O10S -2 02/07/2014 Drug metabolism 6chex2ecoa 6-Carboxyhex-2-enoyl-CoA C28H44N7O19P3S C28H39N7O19P3S -4 C06723 01/07/2019 Benzoate degradation 6csmv 6-beta-carboxy-simvastatin-lactone form C25H36O7 C25H35O7 -1 02/07/2014 Drug metabolism 6csmvacid 6-beta-carboxy-simvastatin-acid form C25H38O8 C25H36O8 -2 02/07/2014 Drug metabolism 6dhf hexaglutamyl folate (DHF) C44H49N12O21 -7 169691 KFFKTBMOFSDZOP-UBGKPRCSSA-G HMDB06563 02/07/2014 Folate metabolism 6epvs 6-epipravastatin C23H35NaO7 C23H35NaO7 0 02/07/2014 Drug metabolism 6fch1c 6-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate C7H6O4F -1 19/09/2018 Fluorobenzoate degradation 6hcheccoa 6-Hydroxycyclohex-1-ene-1-carboxyl-CoA C28H41N7O18P3S -3 19/09/2018 Benzoate degradation 6hddopaqn 6-Hydroxydopamine-Quinone C8H10NO3 0 FAYDNJHGIIVTPJ-UHFFFAOYSA-N 03/01/2017 Tyrosine metabolism 6hdxyhxnt 6-Hydroxyhexanoate C6H11O3 -1 19/09/2018 Caprolactam degradation 6hlvst 6-beta-hydroxy-lovastatin lactone form C24H36O6 C24H36O6 0 02/07/2014 Drug metabolism 6hlvstacid 6-beta-hydroxy-lovastatin-acid form C24H38O7 C24H37O7 -1 02/07/2014 Drug metabolism 6hmhpt 6-hydroxymethyl dihydropterin C7H9N5O2 0 02/07/2014 Folate metabolism 6hmhptpp 6-hydroxymethyl-dihydropterin pyrophosphate C7H8N5O8P2 -3 02/07/2014 Folate metabolism 6hmsmv 6-beta-hydroxy-methyl-simvastatin-lactone form C25H38O6 C25H38O6 0 02/07/2014 Drug metabolism 6hmsmvacid 6-beta-hydroxy-methyl-simvastatin-acid form C25H40O7 C25H39O7 -1 02/07/2014 Drug metabolism 6hoxmelatn 6-Hydroxymelatonin C13H16N2O3 0 C05643 1864 308079 OMYMRCXOJJZYKE-UHFFFAOYSA-N HMDB04081 02/07/2014 Tryptophan metabolism 6hsmv 6-beta-hydroxy simvastatin lactone C25H38O6 C25H38O6 0 02/07/2014 Drug metabolism 6hsmvacid 6-beta-hydroxy simvastatin acid C25H40O7 C25H39O7 -1 02/07/2014 Drug metabolism 6htststerone 6 beta hydroxy testosterone C19H28O3 0 C14497 65543 34477 XSEGWEUVSZRCBC-ZVBLRVHNSA-N HMDB06259 02/07/2014 Steroid metabolism 6kchccoa 6-Ketoxycyclohex-1-ene-1-carboxyl-CoA C28H39N7O18P3S -3 19/09/2018 Xenobiotics metabolism 6m3hheptACP 6-methyl-3-hydroxy-heptanoyl-ACP C19H35N2O9PRS -1 02/07/2014 Fatty acid synthesis 6m3hocACP 6-methyl-3-hydroxy-octanoyl-ACP C20H37N2O9PRS -1 02/07/2014 Fatty acid synthesis 6m3oheptACP 6-methyl-3-oxo-heptanoyl-ACP C19H33N2O9PRS -1 02/07/2014 Fatty acid synthesis 6m3oocACP 6-methyl-3-oxo-octanoyl-ACP C20H35N2O9PRS -1 02/07/2014 Fatty acid synthesis 6melvacid 6-exomethylene-lovastatin-acid form C24H36O6 C24H35O6 -1 02/07/2014 Drug metabolism 6melvst 6-exomethylene-lovastatin lactone form C24H34O5 C24H34O5 0 02/07/2014 Drug metabolism 6mheptACP 6-methyl-heptanoyl-ACP C19H35N2O8PRS -1 02/07/2014 Fatty acid synthesis 6mocACP 6-methyl-octanoyl-ACP C20H37N2O8PRS -1 02/07/2014 Fatty acid synthesis 6msmv 6-exomethylene-simvastatin-lactone form C25H36O5 C25H36O5 0 02/07/2014 Drug metabolism 6mthept2eACP 6-methyl-trans-hept-2-enoyl-ACP C19H33N2O8PRS -1 02/07/2014 Fatty acid synthesis 6mtoct2eACP 6-methyl-trans-oct-2-enoyl-ACP C20H35N2O8PRS -1 02/07/2014 Fatty acid synthesis 6ohchccoa 6-Oxo-2-hydroxycyclohexane-1-carboxyl-CoA C28H41N7O19P3S -3 19/09/2018 Xenobiotics metabolism 6ohfvs 6-hydroxy-fluvastatin C24H25FNNaO5 C24H25FNNaO5 0 02/07/2014 Drug metabolism 6ohfvsglu 6-hydroxy-fluvastatin-glucuronide C30H33FNNaO11 C30H32FNNaO11 -1 02/07/2014 Drug metabolism 6ohxnt 6-Oxohexanoate C6H9O3 -1 19/09/2018 Caprolactam degradation 6p2dhglcn 6-Phospho-2-dehydro-D-gluconate C6H8O10P -3 C06672 12/11/2020 Pentose and glucuronate interconversions 6pbggalsd 6-Phospho-beta-D-galactoside C6H11O9PR -1 19/09/2018 Galactose metabolism 6pgc 6-Phospho-D-gluconate C6H10O10P -3 C00345 91493 48928 BIRSGZKFKXLSJQ-SQOUGZDYSA-K HMDB01316 02/07/2014 Pentose and glucuronate interconversions 6pgg 6-Phospho-beta-D-glucosyl-(1,4)-D-glucose C12H21O14P -2 C04534 02/07/2014 Glycolysis/gluconeogenesis 6pgl 6-phospho-D-glucono-1,5-lactone C6H9O9P -2 C01236 439452 16938 IJOJIVNDFQSGAB-SQOUGZDYSA-L HMDB01127 02/07/2014 Pentose phosphate pathway 6pthp 6-pyruvoyl-5,6,7,8-tetrahydropterin C9H11N5O3 0 C03684 128973 17804 WBJZXBUVECZHCE-UHFFFAOYSA-N HMDB01195 02/07/2014 Tetrahydrobiopterin metabolism 6thf hexaglutamyl folate (THF) C44H51N12O21 -7 169691 PNBHGQKMKIQODR-RQDOUQPLSA-G HMDB06563 02/07/2014 Folate metabolism 6thurt 6-Thiourate C5H4N4O2S 0 19/09/2018 Xenobiotics metabolism 6ti5mp 6-Thioinosine 5-monophosphate C10H12N4O7PS -1 19/09/2018 Xenobiotics metabolism 6txthn5mp 6-Thioxanthine 5-monophosphate C10H12N4O8PS -1 19/09/2018 Xenobiotics metabolism 78dh78dhkrnrt 7,8-Dihydro-7,8-dihydroxykynurenate C10H7NO5 -2 19/09/2018 Tryptophan metabolism 78dhkrnrt 7,8-Dihydroxykynurenate C10H6NO5 -1 19/09/2018 Tryptophan metabolism 78dmthaxzn 7,8-Dimethylalloxazine C12H10N4O2 0 19/09/2018 Vitamin B2 metabolism 7a_czp 7-Aminoclonazepam C15H12ClN3O C15H12ClN3O 0 188298 01/03/2019 Drug metabolism 7ahglz 7-alpha-OH-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism 7bhglz 7-beta-OH-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism 7bhglzglc 7-beta-OH-gliclazide-glucuronide C21H29N3O10S C21H27N3O10S -2 02/07/2014 Drug metabolism 7dhcdchol 7-Dehydrochenodeoxycholate C24H38O4 C24H37O4 -1 22/12/2016 Bile acid metabolism 7dhchol 7-Dehydrocholate C24H38O5 C24H37O5 -1 22/12/2016 7dhchsterol cholesta-5,7-dien-3beta-ol C27H44O 0 C01164 439423 17759 UCTLRSWJYQTBFZ-DDPQNLDTSA-N HMDB00032 02/07/2014 Cholesterol metabolism 7dhf heptaglutamyl folate (DHF) C49H55N13O24 -8 53477856 UDDQBNDBOUHLSR-INCUNFMESA-G HMDB06559 02/07/2014 Folate metabolism 7hpvs 7-hydroxy-3-alpha-iso-pravastatin C23H35NaO8 C23H35NaO8 0 02/07/2014 Drug metabolism 7klitchol 7-Ketolithocholate C24H37O4 -1 DXOCDBGWDZAYRQ-QKBWFQMQSA-M 03/01/2017 Bile acid synthesis 7m3hocACP 7-methyl-3-hydroxy-octanoyl-ACP C20H37N2O9PRS -1 02/07/2014 Fatty acid synthesis 7m3oocACP 7-methyl-3-oxo-octanoyl-ACP C20H35N2O9PRS -1 02/07/2014 Fatty acid synthesis 7mocACP 7-methyl-octanoyl-ACP C20H37N2O8PRS -1 02/07/2014 Fatty acid synthesis 7moonlcoa 7-Methyl-3-oxo-6-octenoyl-CoA C30H45N7O18P3S -3 19/09/2018 Geraniol degradation 7mtoct2eACP 7-methyl-trans-oct-2-enoyl-ACP C20H35N2O8PRS -1 02/07/2014 Fatty acid synthesis 7murt 7-Methyluric acid C6H6N4O3 0 19/09/2018 Caffeine metabolism 7mxthn 7-Methylxanthine C6H6N4O2 0 19/09/2018 Caffeine metabolism 7mxtsn 7-Methylxanthosine C11H15N4O6 1 C16352 01/07/2019 Caffeine metabolism 7ocholate 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate C24H37O5 -1 C04643 02/07/2014 Bile acid metabolism 7oh_efv 7-hydroxy-Efavirenz C14H9ClF3NO3 C14H9ClF3NO3 0 487645 01/03/2019 Drug metabolism 7oh_efv_glc 7-hydroxy-Efavirenz Glucuronide C20H17ClF3NO9 C20H17ClF3NO9 0 01/03/2019 Drug metabolism 7ohocata 7-Hydroxy-Octanoate C8H15O3 -1 OFCMTSZRXXFMBQ-UHFFFAOYSA-M 03/01/2017 Fatty acid oxidation 7thf heptaglutamyl folate (THF) C49H57N13O24 -8 OBQHXHLCLOCHBW-VAEQKALQSA-G 02/07/2014 Folate metabolism 814dioh_efv 8,14-Dihydroxyefavirenz C14H9ClF3NO4 C14H9ClF3NO4 0 16725849 01/03/2019 Drug metabolism 814dioh_efv_glc 8,14-Dihydroxyefavirenz Glucuronide C20H17ClF3NO10 C20H17ClF3NO10 0 01/03/2019 Drug metabolism 8aonn 8-Amino-7-oxononanoate C9H17NO3 0 02/07/2014 Biotin metabolism 8m3hdcaACP 8-methyl-3-hydroxy-decanoyl-ACP C22H41N2O9PRS -1 02/07/2014 Fatty acid synthesis 8m3hnonACP 8-methyl-3-hydroxy-nonanoyl-ACP C21H39N2O9PRS -1 02/07/2014 Fatty acid synthesis 8m3odcaACP 8-methyl-3-oxo-decanoyl-ACP C22H39N2O9PRS -1 02/07/2014 Fatty acid synthesis 8m3ononACP 8-methyl-3-oxo-nonanoyl-ACP C21H37N2O9PRS -1 02/07/2014 Fatty acid synthesis 8mdcaACP 8-methyl-decanoyl-ACP C22H41N2O8PRS -1 02/07/2014 Fatty acid synthesis 8mnonACP 8-methyl-nonanoyl-ACP C21H39N2O8PRS -1 02/07/2014 Fatty acid synthesis 8mtdec2eACP 8-methyl-trans-dec-2-enoyl-ACP C22H39N2O8PRS -1 02/07/2014 Fatty acid synthesis 8mthocnt 8-Methylthio-2-octanoic acid C9H16O3S 0 19/09/2018 Glucosinolate biosynthesis 8mtnon2eACP 8-methyl-trans-non-2-enoyl-ACP C21H37N2O8PRS -1 02/07/2014 Fatty acid synthesis 8oh_efv 8-hydroxy-Efavirenz C14H9ClF3NO3 C14H9ClF3NO3 0 487643 01/03/2019 Drug metabolism 8oh_efv_glc 8-hydroxy-Efavirenz Glucuronide C20H17ClF3NO9 C20H17ClF3NO9 0 01/03/2019 Drug metabolism 9_cis_retfa fatty acid 9-cis-retinol C20H29OFULLR2CO 0 02/07/2014 Vitamin A metabolism 9crtnl 9-cis-Retinal C20H28O 0 19/09/2018 Vitamin A metabolism 9m3hdcaACP 9-methyl-3-hydroxy-decanoyl-ACP C22H41N2O9PRS -1 02/07/2014 Fatty acid synthesis 9m3odcaACP 9-methyl-3-oxo-decanoyl-ACP C22H39N2O9PRS -1 02/07/2014 Fatty acid synthesis 9mdcaACP 9-methyl-decanoyl-ACP C22H41N2O8PRS -1 02/07/2014 Fatty acid synthesis 9mtdec2eACP 9-methyl-trans-dec-2-enoyl-ACP C22H39N2O8PRS -1 02/07/2014 Fatty acid synthesis 9mth2nnt 9-Methylthio-2-nonanoic acid C10H18O3S 0 19/09/2018 Glucosinolate biosynthesis a_gal_D alpha_D_galactose C6H12O6 0 02/07/2014 a7obglsd Apigenin 7-O-beta-D-glucoside C21H20O10 0 19/09/2018 Plant polysaccharide degradation aa Acrylamide C3H5NO C3H5NO 0 HMDB04296 02/07/2014 Arginine and proline metabolism aaacp Acetoacetyl_acyl_carrier_protein C4H4O2X 0 02/07/2014 aaatbc 3-alpha,7-alpha,12-alpha-trihydroxy-5-beta-cholanate X 0 02/07/2014 aacald Aminoacetaldehyde C2H6NO 1 02/07/2014 Pyruvate metabolism aacoa Acetoacetyl-CoA C25H36N7O18P3S -4 C00332 439214 15345 OJFDKHTZOUZBOS-CITAKDKDSA-J HMDB01484 02/07/2014 Butanoate metabolism aact ammonioacetone C3H8NO 1 C01888 215 17906 BCDGQXUMWHRQCB-UHFFFAOYSA-O HMDB02134 02/07/2014 Glycine, serine, alanine, and threonine metabolism aadobc 3-alpha,12-alpha-dihydroxy-7-oxo-5-beta-cholanate X 0 02/07/2014 aadpsae alpha-Aminoadipoyl-S-acyl enzyme C6H9NO3RS -1 C05535 08/03/2016 Lysine metabolism aamna alpha-Amino acid C2H3NO2R -1 19/09/2018 Miscellaneous aamnae alpha-Amino acid ester C2H3NO2R2 0 19/09/2018 Peptide metabolism aatrna Aminoacyl-tRNA C17H25NO17P2R4 -2 19/09/2018 Miscellaneous ab14lac_L L-Arabinono-1,4-lactone C5H8O5 C5H8O5 0 02/07/2014 Ascorbate and aldarate metabolism ab6p3hxl D-arabino-6-Phospho-hex-3-ulose C6H13O9P C6H11O9P -2 02/07/2014 Methane metabolism abdhthdp alpha,beta-Dihydroxyethyl-ThDP C14H21N4O9P2S -1 19/09/2018 Methane metabolism abiphed 2-Aminobiphenyl-2,3-diol C12H11NO2 0 19/09/2018 Xenobiotics metabolism abnzn Acetylbenzene C8H8O 0 19/09/2018 Xenobiotics metabolism abt L-arabinitol C5H12O5 0 C00532 439255 18403 HEBKCHPVOIAQTA-IMJSIDKUSA-N HMDB01851 02/07/2014 Pentose and glucuronate interconversions abt_D D-Arabitol C5H12O5 C5H12O5 0 C01904 5013 18333 HEBKCHPVOIAQTA-QWWZWVQMSA-N OC[C@@H](O)C(O)[C@H](O)CO HMDB00568 02/07/2014 Pentose and glucuronate interconversions abz_ala_b 4-Aminobenzoyl-Beta-Alanine C10H12N2O3 C10H11N2O3 -1 719629 01/03/2019 Drug metabolism ac Acetate C2H3O2 -1 C00033 176 15366 QTBSBXVTEAMEQO-UHFFFAOYSA-M HMDB00042 02/07/2014 Alanine and aspartate metabolism ac_amn_b_gly Acetyl 4-Aminobenzoylglycine C11H12N2O4 C11H11N2O4 -1 01/03/2019 Drug metabolism ac_amn_b_gly_glc Acetyl 4-Aminobenzoylglycine Glucuronide C17H20N2O10 C17H18N2O10 -2 01/03/2019 Drug metabolism ac4oacnam N-Acetyl-4-O-acetylneuraminate C13H20NO10 -1 19/09/2018 Aminosugar metabolism ac5asa N-Acetyl-5-Aminosalicylic Acid C9H9NO4 C9H8NO4 -1 65512 01/03/2019 Drug metabolism acaadp N2-Acetyl-L-aminoadipate C8H13NO5 C8H11NO5 -2 02/07/2014 Lysine metabolism acaadpdp N2-Acetyl-L-aminoadipyl-delta-phosphate C8H12NO8P -2 C12987 08/03/2016 Lysine metabolism acaadpsal N2-Acetyl-L-aminoadipate semialdehyde C8H12NO4 -1 C12988 08/03/2016 Lysine metabolism acabiph N-Acetoxy-4-aminobiphenyl C14H13NO2 C14H13NO2 0 C03621 01/07/2019 Xenobiotics metabolism acac Acetoacetate C4H5O3 -1 C00164 96 15344 WDJHALXBUFZDSR-UHFFFAOYSA-M HMDB00060 02/07/2014 Butanoate metabolism acACP Acetyl-ACP C13H23N2O8PRS -1 C03939 02/07/2014 Fatty acid oxidation acact Acetylacetone C5H8O2 C5H8O2 0 C15499 01/07/2019 Xenobiotics metabolism acald Acetaldehyde C2H4O 0 C00084 177 15343 IKHGUXGNUITLKF-UHFFFAOYSA-N HMDB00990 02/07/2014 Aminophosphonate metabolism acamoxm N_Acetyl_L_2_amino_6_oxopimelate C9H13NO6 C9H11NO6 -2 58117 02/07/2014 Glycerophospholipid metabolism acanth N-Acetylanthranilate C9H8NO3 -1 02/07/2014 acara N_Acetoxyarylamine C8H9NO2 0 02/07/2014 acasp N-Acyl-L-aspartate C6H8NO5 -1 C02715 02/07/2014 acbdma14gapuc N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D- glucosaminyldiphosphoundecaprenol C71H118N2O17P2 C71H116N2O17P2 -2 02/07/2014 Aminosugar metabolism accoa Acetyl-CoA C23H34N7O17P3S -4 C00024 444493 15351 ZSLZBFCDCINBPY-ZSJPKINUSA-J HMDB01206 02/07/2014 Alanine and aspartate metabolism acctn Acacetin C16H12O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism acerA Aceric acid (3-C-carboxy-5-deoxy-l-xylose) (rare sugar in rhamnogalacturonan II) C6H10O6 C6H9O6 -1 11636912 02/07/2014 Plant polysaccharide degradation acetol hydroxyacetone C3H6O2 0 C05235 8299 27957 XLSMFKSTNGKWQX-UHFFFAOYSA-N HMDB06961 02/07/2014 Pyruvate metabolism acetone acetone C3H6O 0 C00207 180 15347 CSCPPACGZOOCGX-UHFFFAOYSA-N HMDB01659 02/07/2014 Butanoate metabolism acg5p N-acetyl-L-gamma-glutamyl phosphate(3-) C7H9NO8P -3 C04133 440236 16878 FCVIHFVSXHOPSW-YFKPBYRVSA-K HMDB06456 02/07/2014 Arginine and proline metabolism acg5sa 2-acetamido-5-oxopentanoate C7H10NO4 -1 C01250 192878 16319 BCPSFKBPHHBDAI-LURJTMIESA-M HMDB06488 02/07/2014 Arginine and proline metabolism acgagbside_hs alpha GalNAc globoside C52H92N3O27FULLRCO 0 02/07/2014 Sphingolipid metabolism acgal N-acetyl-D-galactosamine C8H15NO6 0 C01074 84265 28037 OVRNDRQMDRJTHS-KEWYIRBNSA-N HMDB00212 02/07/2014 Aminosugar metabolism acgal1p N-Acetyl-D-galactosamine 1-phosphate C8H14NO9P -2 22833661 55404 FZLJPEPAYPUMMR-KEWYIRBNSA-L HMDB06480 02/07/2014 Aminosugar metabolism acgal6p N-Acetyl-D-galactosamine 6-phosphate C8H14NO9P -2 02/07/2014 Aminosugar metabolism acgala N_Acetyl_D_galactosamine C8H15NO6 0 02/07/2014 acgalfuc12gal14acglcgalgluside_hs (Gal)2 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1 C58H102N3O31FULLRCO 0 62650 02/07/2014 Blood group synthesis acgalfucgalacgalfuc12gal14acglcgalgluside_hs Type IIIA glycolipid C78H135N4O45FULLRCO 0 G00059 28574 02/07/2014 Blood group synthesis acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs Type IIIAb C92H158N5O55FULLRCO 0 G00075 02/07/2014 Blood group synthesis acgalfucgalacglcgal14acglcgalgluside_hs (Gal)3 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)1 (Cer)1 X 0 62540 02/07/2014 Blood group synthesis acgalfucgalacglcgalgluside_hs Type IA glycolipid C58H102N3O31FULLRCO 0 G00042 62650 02/07/2014 Blood group synthesis acgalglcur Dimer GalNAc-GlcA C14H22NO12 -1 02/07/2014 Chondroitin sulfate degradation acgalidour Dimer GalNAc-IdoA C14H22NO12 -1 02/07/2014 Chondroitin sulfate degradation acgalidour2s Dimer GalNAc-IdoA2S C14H21NO15S -2 02/07/2014 Chondroitin sulfate degradation acgam N-acetyl-D-glucosamine C8H15NO6 0 C00140 439174 506227 OVRNDRQMDRJTHS-RTRLPJTCSA-N HMDB00215 02/07/2014 Aminosugar metabolism acgam1p N-Acetyl-D-glucosamine 1-phosphate C8H14NO9P -2 C04256 440272 7125 FZLJPEPAYPUMMR-RTRLPJTCSA-L HMDB01367 02/07/2014 Aminosugar metabolism acgam6p N-acetyl-D-glucosamine 6-phosphate(2-) C8H14NO9P -2 C00357 440996 15784 BRGMHAYQAZFZDJ-RTRLPJTCSA-L HMDB01062 02/07/2014 Aminosugar metabolism acgbgbside_hs beta GalNAc globoside C52H92N3O27FULLRCO 0 JGSARLDLIJGVTE-MBNYWOFBSA-N 02/07/2014 Sphingolipid metabolism acglc_D 6-Acetyl-D-glucose C8H14O7 0 02/07/2014 acglc13galacglcgal14acglcgalgluside_hs nLc7Cer C66H115N4O37FULLRCO 0 G00068 02/07/2014 Blood group synthesis acglcgal14acglcgalgluside_hs nLc5Cer C52H92N3O27FULLRCO 0 C04938 02/07/2014 Blood group synthesis acglcgalacglcgal14acglcgalgluside_hs (Gal)3 (Glc)1 (GlcNAc)3 (Cer)1 C66H115N4O37FULLRCO 0 G00077 02/07/2014 Blood group synthesis acglcgalgbside_hs GlcNAc-Gal globoside C58H102N3O32FULLRCO 0 02/07/2014 Sphingolipid metabolism acglcgalgluside_hs N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide C38H69N2O17FULLRCO 0 C04845 17103 02/07/2014 Blood group synthesis acglu N-acetyl-L-glutamate(2-) C7H9NO5 -2 C00624 185 17533 RFMMMVDNIPUKGG-YFKPBYRVSA-L HMDB01138 02/07/2014 Arginine and proline metabolism acgly Acetyl-Glycine C4H6NO3 -1 OKJIRPAQVSHGFK-UHFFFAOYSA-M 03/01/2017 Glycine, serine, alanine, and threonine metabolism acgpail_hs 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol(1-) C17H29NO14PFULLRCO2FULLR2CO2 -1 C01288 53481019 57265 PURMXIZHPMUYNW-DDSODLQFSA-N HMDB0011669 02/07/2014 Phosphatidylinositol phosphate metabolism ach acetylcholine C7H16NO2 1 C01996 187 15355 OIPILFWXSMYKGL-UHFFFAOYSA-N HMDB00895 02/07/2014 Glycerophospholipid metabolism achms O-Acetyl-L-homoserine C6H11NO4 0 HMDB0029423 02/07/2014 Methionine and cysteine metabolism achom_L Acetylhomoserine C6H10NO4 -1 HCBFOIPUKYKZJC-YFKPBYRVSA-N 03/01/2017 Glycine, serine, alanine, and threonine metabolism acile_L Acetyl Isoleucine (Chemspider Id: 9964364) C8H14NO3 -1 306109 JDTWZSUNGHMMJM-DSEUIKHZSA-M HMDB0061684 03/01/2017 Valine, leucine, and isoleucine metabolism acisnzd N-Acetylisoniazid C8H9N3O2 C8H9N3O2 0 C07585 01/03/2019 Drug metabolism aclamna N-Acyl-L-amino acid C3H2NO3R2 -1 19/09/2018 Glycerophospholipid metabolism acleu_L N-Acetylleucine C8H14NO3 -1 WXNXCEHXYPACJF-UHFFFAOYSA-M 03/01/2017 Valine, leucine, and isoleucine metabolism aclys N2-Acetyl-L-lysine C8H16N2O3 C8H16N2O3 0 VEYYWZRYIYDQJM-ZETCQYMHSA-N 02/07/2014 Lysine metabolism acmalt Acetyl-maltose C14H24O12 0 02/07/2014 Starch and sucrose metabolism acmam N-Acetyl-D-muramoate C11H18NO8 -1 HMDB0060493 02/07/2014 Cell wall biosynthesis acmama N-Acetyl-D-muramoyl-L-alanine C14H23N2O9 -1 HMDB0060494 02/07/2014 Cell wall biosynthesis acmana N-acetyl-D-mannosamine C8H15NO6 0 C00645 11096158 63153 OVRNDRQMDRJTHS-ZTVVOAFPSA-N HMDB01129 02/07/2014 Aminosugar metabolism acmanap N-acetyl-D-mannosamine 6-phosphate(2-) C8H14NO9P -2 C04257 440273 62165 BRGMHAYQAZFZDJ-ZTVVOAFPSA-L HMDB01121 02/07/2014 Aminosugar metabolism acmp acetaminophen/ paracetamol C8H9NO2 C8H9NO2 0 D00217 1983 RZVAJINKPMORJF-UHFFFAOYSA-N HMDB01859 02/07/2014 Drug metabolism acmp_glc Acetaminophen Glucuronide C14H17NO8 C14H16NO8 -1 01/03/2019 Drug metabolism acmpglu Acetaminophen glucuronide C14H17NO8 C14H16NO8 -1 83944 IPROLSVTVHAQLE-BYNIDDHOSA-N HMDB0010316 02/07/2014 Drug metabolism acmpglut acetaminophen-glutathione-conjugate C19H26N4O7S C19H26N4O7S 0 CHEBI:32639 VFNAXGMNFCUWCI-RYUDHWBXSA-N 02/07/2014 Drug metabolism acmum N-Acetylmuramate C11H18NO8 -1 02/07/2014 Cell wall biosynthesis acmum6p N-acetylmuramate 6-phosphate C11H17NO11P -3 02/07/2014 Cell wall biosynthesis acn13acngalgbside_hs sialyl (1,3) sialyl (2,6) galactosylgloboside C72H121N4O43FULLRCO -2 02/07/2014 Sphingolipid metabolism acn23acngalgbside_hs sialyl (2,3) sialyl (2,6) galactosylgloboside C72H121N4O43FULLRCO -2 02/07/2014 Sphingolipid metabolism acnacngal14acglcgalgluside_hs 3,8-LD1 C66H111N4O38FULLRCO -2 G00064 02/07/2014 Blood group synthesis acnacngalgbside_hs disialyl galactosylgloboside C72H121N4O43FULLRCO -2 02/07/2014 Sphingolipid metabolism acnam N-acetylneuraminate C11H18NO9 -1 C19910 445063 45744 SQVRNKJHWKZAKO-PFQGKNLYSA-M HMDB00230 02/07/2014 Aminosugar metabolism acnam2a6agal Alpha-2,6-N-acetylneuraminate-N-acetylgalactosamine C19H32N2O14 C19H31N2O14 -1 G00455 29/03/2017 O-glycan degradation acnamgalacnamgalamR alpha-N-Acetylneuraminyl-2,3-beta-D-galactose-1,3-(alpha-N-acetylneuraminyl-2,6)-N-acetyl-D-galactosaminyl-R C36H58N3O27R C36H56N3O27R -2 C04926 01/07/2019 Glycosaminoglycan degradation acnamgalgalamR alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,3-N-acetyl-D-galactosaminyl-R C25H41N2O19R C25H40N2O19R -1 C04885 01/07/2019 Glycosaminoglycan degradation acnamp N-Acetylneuraminate 9-phosphate C11H17NO12P -3 C06241 440962 27438 SQMNIXJSBCSNCI-LUWBGTNYSA-K HMDB04381 02/07/2014 Aminosugar metabolism acngal14acglcgalgluside_hs Sialyl-3-paragloboside C55H95N3O30FULLRCO -1 C04936 36528 02/07/2014 Blood group synthesis acngalacglcgal14acglcgalgluside_hs VI3NeuAc-nLc6Cer C69H118N4O40FULLRCO -1 G00088 02/07/2014 Blood group synthesis acngalacglcgalgluside_hs (Gal)3 (Glc)1 (GlcNac)1 (Cer)1 X 0 02/07/2014 Blood group synthesis acngalgbside_hs sialyl galactosylgloboside C61H105N3O35FULLRCO -1 02/07/2014 Sphingolipid metabolism acoa Acyl coenzyme A C22H32N7O17P3RS -3 19/09/2018 Ether lipid metabolism acoac [Acetyl-CoA carboxylase] C4H6N2O3R2 0 19/09/2018 Miscellaneous acoap [Acetyl-CoA carboxylase] phosphate C4H6N2O6PR2 -1 19/09/2018 Miscellaneous acolipa 4-Amino-4-deoxy-L-arabinose modified core oligosaccharide lipid A C181H314N3O103P4 -9 02/07/2014 acon_C cis-Aconitate C6H3O6 -3 02/07/2014 Citric acid cycle acon_T trans-Aconitate C6H3O6 -3 02/07/2014 Arginine and proline metabolism aconm E-3-carboxy-2-pentenedioate 6-methyl ester C7H6O6 -2 02/07/2014 Arginine and proline metabolism acorn N(2)-acetyl-L-ornithine C7H14N2O3 0 C00437 439232 16543 JRLGPAXAGHMNOL-LURJTMIESA-N HMDB03357 02/07/2014 Arginine and proline metabolism ACP acyl carrier protein C11H21N2O7PRS -1 C00229 18359 02/07/2014 Aminosugar metabolism ACP_2 acyl_carrier_protein HX 0 02/07/2014 acphpnt 7-Aminocephalosporanic acid C10H11N2O5S -1 19/09/2018 Xenobiotics metabolism acppmd Alcophosphamide C7H17N2O3PCl2 0 19/09/2018 Xenobiotics metabolism acrn O-acetylcarnitine C9H17NO4 0 C02571 1 15960 RDHQFKQIGNGIED-MRVPVSSYSA-N HMDB00201 02/07/2014 Fatty acid oxidation acryl acrylate C3H4O2 C3H3O2 -1 C00511 6581 18308 NIXOWILDQLNWCW-UHFFFAOYSA-M HMDB0031647 02/07/2014 Arginine and proline metabolism acser O-Acetyl-L-serine C5H9NO4 0 C00979 189 HMDB03011 02/07/2014 Glycine, serine, alanine, and threonine metabolism actACP Acetoacetyl-ACP C15H25N2O9PRS -1 02/07/2014 Fatty acid oxidation acthr_L Acetyl-Threonine C6H10NO4 -1 PEDXUVCGOLSNLQ-UHFFFAOYSA-M 03/01/2017 Glycine, serine, alanine, and threonine metabolism actlndc Acetylenedicarboxylate C4O4 C4O4 -2 19/09/2018 Pyruvate metabolism actn_R (R)-Acetoin C4H8O2 0 HMDB03243 02/07/2014 Butanoate metabolism actn_S (S)-Acetoin C4H8O2 C4H8O2 0 02/07/2014 Butanoate metabolism actp Acetyl phosphate C2H3O5P -2 HMDB01494 02/07/2014 Fructose and mannose metabolism actyr N-Acetyl-Tyrosine C11H12NO4 -1 CAHKINHBCWCHCF-JTQLQIEISA-M 03/01/2017 Tyrosine metabolism ad Acetamide C2H5NO C2H5NO 0 HMDB0031645 02/07/2014 Arginine and proline metabolism adap Aryl dialkyl phosphate C6H5O4PR2 0 19/09/2018 Aminobenzoate degradation adchac Allodeoxycholic acid C24H40O4 C24H39O4 -1 C17687 15/03/2017 Bile acid metabolism adcob1nda Adenosyl-cobyrinate-a-c-diamide C55H68CoN11O15 0 02/07/2014 adcobdam Adenosyl cobyrinate diamide C55H68CoN11O15 -4 C06506 HMDB01083 02/07/2014 Vitamin B12 metabolism adcobhex adenosyl-cobyric acid C55H76CoN15O11 0 C06506 OCNLJCZKGHKJGF-QOCQOLRHSA-M HMDB01083 02/07/2014 Vitamin B12 metabolism ade Adenine C5H5N5 0 C00147 190 16708 GFFGJBXGBJISGV-UHFFFAOYSA-N HMDB00034 02/07/2014 Arginine and proline metabolism adgaldpundcrnl alpha-D-Galactosyl-diphosphoundecaprenol C61H100O12P2 C61H100O12P2 -2 19/09/2018 Pentose and glucuronate interconversions adggcgn alpha-D-Glucosylglycogenin C16H20N2O8R2 0 19/09/2018 Plant polysaccharide degradation adgpgp alpha-D-Glucosylpoly(glycerol phosphate) C12H24O16P2 -2 19/09/2018 Cell wall biosynthesis adhap_hs acyl-dihydroxyacetone phosphate C3H4O6PFULLRCO -2 C03372 22231 02/07/2014 Glycerophospholipid metabolism adhex6p alpha-D-Hexose 6-phosphate C6H12O9P -1 19/09/2018 Glycolysis/gluconeogenesis adhlam S-Acetyldihydrolipoamide C10H19NO2S2 0 HMDB01526 02/07/2014 Glycolysis/gluconeogenesis adn Adenosine C10H13N5O4 0 C00212 60961 16335 OIRDTQYFTABQOQ-KQYNXXCUSA-N HMDB00050 02/07/2014 Methionine and cysteine metabolism adocbi Adenosyl cobinamide C58H84CoN16O11 1 HMDB06903 02/07/2014 Vitamin B12 metabolism adocbip Adenosyl cobinamide phosphate C58H83CoN16O14P -1 HMDB0012184 02/07/2014 Vitamin B12 metabolism adocblp Adenosylcobalamin-phosphate C72H99CoN18O20P2 0 02/07/2014 adp ADP C10H12N5O10P2 -3 C00008 6022 16761 XTWYTFMLZFPYCI-KQYNXXCUSA-K HMDB01341 02/07/2014 Alanine and aspartate metabolism adpac adipic acid C6H8O4 -2 C06104 196 30832 WNLRTRBMVRJNCN-UHFFFAOYSA-L HMDB00448 02/07/2014 Fatty acid oxidation adpcoa adipoylcoa C27H39N7O19P3S -5 C14143 9543333 34528 SPNAEHGLBRRCGL-BIEWRJSYSA-I HMDB04047 02/07/2014 Fatty acid oxidation adpglc ADP alpha-D-glucoside(2-) C16H23N5O15P2 -2 C00498 16500 15751 WFPZSXYXPSUOPY-ROYWQJLOSA-L HMDB06557 02/07/2014 Glucosylglycerol biosynthesis adphep_DD ADP-D-glycero-D-manno-heptose C17H25N5O16P2 -2 02/07/2014 Lipopolysaccharide biosynthesis adphep_LD ADP-L-glycero-D-manno-heptose C17H25N5O16P2 -2 02/07/2014 Lipopolysaccharide biosynthesis adphep7p_LD ADP-L-glycero-D-manno-heptose-7-phosphate C17H24N5O19P3 -4 02/07/2014 adpman ADPmannose C16H23N5O15P2 -2 C06192 440940 28845 WFPZSXYXPSUOPY-KXHLDQJJSA-L HMDB06369 02/07/2014 Nucleotide interconversion adpoh 2-Hydroxyadipic Acid C6H8O5 -2 OTTXIFWBPRRYOG-UHFFFAOYSA-L 03/01/2017 Lysine metabolism adpr2p ADPribose 2-phosphate C15H21N5O17P3 -3 19/09/2018 Others adprbp ADP-D-ribose 2-phosphate(4-) C15H20N5O17P3 -4 C03246 439957 37463 OCOLIMYIUOUURJ-IEXJHJBLSA-J HMDB06336 02/07/2014 NAD metabolism adprib ADPribose C15H21N5O14P2 -2 C00301 192 16960 SRNWOUGRCWSEMX-IEXJHJBLSA-L HMDB01178 02/07/2014 NAD metabolism adprsl ADP-D-ribosyl-[dinitrogen reductase] C22H33N10O15P2R2 -1 19/09/2018 Nucleotide sugar metabolism adrn adrenic acid C22H35O2 -1 C16527 5497181 53487 TWSWSIQAPQLDBP-UXGBKZFVSA-M HMDB02226 02/07/2014 Fatty acid oxidation adrncoa adrenyl coenzyme A C43H66N7O17P3S -4 C16170 23724647 LVXQCHCSSLFKLO-GKLWCFAUSA-J HMDB0060208 02/07/2014 Fatty acid oxidation adrncrn Adrenyl carnitine C29H49NO4 0 53477825 OLORTLVEDIELGC-SNPVRQPZSA-N HMDB06321 02/07/2014 Fatty acid oxidation adrnl Adrenaline C9H14NO3 1 C00788 5816 28918 UCTWMZQNUQWSLP-VIFPVBQESA-O HMDB00068 02/07/2014 Tyrosine metabolism adsel Adenylylselenate C10H12N5O10PSe -2 C05686 440758 2485 XCADVMZZFPIERR-KQYNXXCUSA-L HMDB04112 02/07/2014 Nucleotide interconversion adth 2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid C7H13NO5 0 C16850 21/05/2021 Phenylalanine metabolism AEP 2-Aminoethylphosphonate C2H7N1O3P1 0 02/07/2014 af6p Aminofructose 6-phosphate C6H14NO8P 0 19/09/2018 Glycolysis/gluconeogenesis afburdpp alpha-Fluoro-beta-ureidopropionic acid C4H6N2O3F -1 19/09/2018 Xenobiotics metabolism aflatoxin aflatoxin B1 C17H12O6 0 C06800 14403 2504 OQIQSTLJSLGHID-WNWIJWBNSA-N HMDB06552 02/07/2014 Cytochrome metabolism afrnsn alpha-Farnesene C15H24 0 19/09/2018 Squalene and cholesterol synthesis ag silver Ag 1 02/07/2014 agal1b3agal Beta-1,3-N,N-diacetylgalactosamine C16H28N2O11 C16H28N2O11 0 G01033 29/03/2017 O-glycan degradation agal1b6agal Beta-1,6-N,N-diacetylgalactosamine C16H28N2O11 C16H28N2O11 0 29/03/2017 O-glycan degradation agalrnt Digalacturonate C12H16O13 -2 19/09/2018 Plant polysaccharide degradation agam1b3agal Beta-1,3-N-acetylglucosamine-N-acetylgalactosamine C16H28N2O11 C16H28N2O11 0 G00543 29/03/2017 O-glycan degradation agam1b6agal Beta-1,6-N-acetylglucosamine-N-acetylgalactosamine C16H28N2O11 C16H28N2O11 0 G02165 29/03/2017 O-glycan degradation agdpcbi Adenosine-GDP-cobinamide C68H95CoN21O21P2 -1 HMDB0012185 02/07/2014 Vitamin B12 metabolism agdpgpi N-Acetyl-D-glucosaminyl archaetidylinositol C57H111N1O16P1 C57H111NO16P -1 13/05/2020 Glycerophospholipid metabolism agly3p_LLA 1_Acyl_sn_glycerol_3_phosphate__lactis_specific_ C2010H3799O700P100 0 02/07/2014 agly3p_LPL 1_Acyl_sn_glycerol_3_phosphate__Lb_plantarum_specific_ X 0 02/07/2014 agm agmatinium(2+) C5H16N4 2 C00179 199 17431 QYPPJABKJHAVHS-UHFFFAOYSA-P HMDB01432 02/07/2014 Arginine and proline metabolism agphchln 1-Alkenylglycerophosphocholine C10H21NO6PR 0 19/09/2018 Ether lipid metabolism ahandrostan 3alpha-hydroxy-5beta-androstan-17-one C19H30O2 0 C04373 5880 28195 QGXBDMJGAMFCBF-BNSUEQOYSA-N HMDB00490 02/07/2014 Steroid metabolism ahandrostanglc 3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid C25H38O8 0 C11136 443078 37451 VFUIRAVTUVCQTF-SDHZCXLISA-N HMDB04484 02/07/2014 Steroid metabolism ahcys S-Adenosyl-L-homocysteine C14H20N6O5S 0 C00021 439155 16680 ZJUKTBDSGOFHSH-WFMPWKQPSA-N HMDB00939 02/07/2014 Androgen and estrogen synthesis and metabolism ahdt 7,8-dihydroneopterin 3-triphosphate(4-) C9H12N5O13P3 -4 C04895 121885 18372 DGGUVLXVLHAAGT-UJURSFKZSA-J HMDB00980 02/07/2014 Folate metabolism ahex1p alpha-D-Hexose 1-phosphate C6H12O9P -1 19/09/2018 Glycolysis/gluconeogenesis ahlndn Anhalonidine C12H17NO3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ahnl Anhalonine C13H19NO3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ahqn Aminohydroquinone C6H7NO2 0 19/09/2018 Xenobiotics metabolism ahrdvn Anhydrorhodovibrin C41H58O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ai15tca1 Anteisopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted C117H228O135P24 -24 02/07/2014 Cell wall biosynthesis ai15tcaacgam Anteisopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C309H540N24O255P24 -24 02/07/2014 Cell wall biosynthesis ai15tcaala_D Anteisopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C189H324N24O135P24 0 30/09/2014 Cell wall biosynthesis ai15tcaglc Anteisopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted X C261H468O255P24 -24 30/09/2014 Cell wall biosynthesis ai17tca1 Anteisoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted C121H236O135P24 -24 02/07/2014 Cell wall biosynthesis ai17tcaacgam Anteisoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C313H548N24O255P24 -24 02/07/2014 Cell wall biosynthesis ai17tcaala_D Anteisoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C193H332N24O135P24 0 30/09/2014 Cell wall biosynthesis ai17tcaglc Anteisoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted X C265H476O255P24 -24 30/09/2014 Cell wall biosynthesis aicar 5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxamide C9H13N4O8P -2 C04677 65110 18406 NOTGFIUVDGNKRI-UUOKFMHZSA-L HMDB01517 02/07/2014 Histidine metabolism aihdcardlip_Bsub Anteisoheptadecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 aihpdcoa fa12coa,Anteiso-C17:0 CoA Anteisoheptadecanoyl-CoA C38H64N7O17P3S -4 02/07/2014 Fatty acid synthesis ainapoh Sinapyl alcohol C11H14O4 0 19/09/2018 Methionine and cysteine metabolism aipdcardlip_Bsub Anteisopentadecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 aipdcoa fa4coa,Anteiso-C15:0 CoA Anteisopentadecanoyl-CoA C36H60N7O17P3S -4 02/07/2014 Fatty acid synthesis air 5-amino-1-(5-phospho-D-ribosyl)imidazole C8H12N3O7P -2 C03373 161500 58592 PDACUKOKVHBVHJ-LLRQIJQNSA-L HMDB01235 02/07/2014 Purine catabolism airs Aminoimidazole-riboside C8H13N3O4 0 02/07/2014 Purine synthesis ais3claclt cis-3-Chloroacrylic acid C3H2O2Cl -1 19/09/2018 Xenobiotics metabolism ajmln Ajmaline C20H27N2O2 1 19/09/2018 Indole alkaloid biosynthesis ak2g_hs 1-alkyl 2-acylglycerol C5H10O2FULLRFULLR2CO2 0 C03201 52595 02/07/2014 Glycerophospholipid metabolism ak2gchol_hs 1-alkyl 2-acylglycerol 3-phosphocholine C10H20O5NPFULLRFULLR2CO 0 C05212 02/07/2014 Glycerophospholipid metabolism ak2gp_hs 1-alkyl 2-acylglycerol 3-phosphate C5H9O6PFULLRFULLR2CO -2 C05977 02/07/2014 Glycerophospholipid metabolism ak2gpe_hs 1-alkyl 2-acylglycerol 3-phosphoethanolamine C7H16O5NPFULLRFULLR2CO 0 C04475 36712 02/07/2014 Glycerophospholipid metabolism ak2lgchol_hs 1-alkyl 2-lysoglycerol 3-phosphocholine C10H21O5NPFULLR 0 C04317 2733532 XKBJVQHMEXMFDZ-AREMUKBSSA-N HMDB0011149 02/07/2014 Glycerophospholipid metabolism akdhap_hs 1-alkyldihydroxyacetone phosphate C3H4O6PFULLRC2H4 -2 02/07/2014 Glycerophospholipid metabolism akg 2-Oxoglutarate C5H4O5 -2 C00026 51 30915 KPGXRSRHYNQIFN-UHFFFAOYSA-L HMDB00208 02/07/2014 Alanine and aspartate metabolism akgp_hs O-alkylglycerone phosphate(2-) C4H10O4PFULLRCO2 -2 C03715 58049 02/07/2014 Glycerophospholipid metabolism aklnnt Aklanonic acid C21H14O8 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism aklnntme Aklanonic acid methyl ester C22H17O8 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism aklvktn Aklaviketone C22H18O8 0 19/09/2018 Xenobiotics metabolism akval alpha-Ketovalerate C5H8O3 C5H7O3 -1 5460364 25/09/2019 Valine, leucine, and isoleucine metabolism al26da N6_Acetyl_LL_2_6_diaminoheptanedioate C9H14N2O5 0 02/07/2014 ala_B beta-alanine C3H7NO2 0 C00099 239 16958 UCMIRNVEIXFBKS-UHFFFAOYSA-N HMDB00056 02/07/2014 Beta-alanine metabolism ala_D D-alanine C3H7NO2 0 C00133 71080 15570 QNAYBMKLOCPYGJ-UWTATZPHSA-N HMDB01310 02/07/2014 Alanine and aspartate metabolism ala_L L-alanine C3H7NO2 0 C00041 5950 16977 QNAYBMKLOCPYGJ-REOHCLBHSA-N HMDB00161 02/07/2014 Alanine and aspartate metabolism alaala D-Alanyl-D-alanine C6H12N2O3 0 C00993 5460362 16576 DEFJQIDDEAULHB-QWWZWVQMSA-N HMDB03459 02/07/2014 Alanine and aspartate metabolism alaargcys Alanyl-Arginyl-Cysteine C12H25N6O4S 1 WRDANSJTFOHBPI-UHFFFAOYSA-O 03/01/2017 Peptide metabolism alaarggly Alanyl-Arginyl-Glycine C11H23N6O4 1 JBGSZRYCXBPWGX-UHFFFAOYSA-O 03/01/2017 Peptide metabolism alaasnleu Alanyl-Asparaginyl-Leucine C13H24N4O5 0 NXSFUECZFORGOG-UHFFFAOYSA-N 03/01/2017 Peptide metabolism alaasp L-alanyl-L-aspartate C7H11N2O5 -1 02/07/2014 Peptide metabolism alac_S (S)-2-Acetolactate C5H7O4 -1 HMDB06855 02/07/2014 Butanoate metabolism alagln L-alanyl-L-glutamine C8H15N3O4 0 02/07/2014 Others alaglu L-alanyl-L-glutamate C8H13N2O5 -1 02/07/2014 Peptide metabolism alagly L-alanylglycine C5H10N2O3 0 02/07/2014 Others alaglylys Alanyl-Glycyl-Lysine C11H23N4O4 2 BLIMFWGRQKRCGT-YUMQZZPRSA-N 03/01/2017 Peptide metabolism alahis L-alanyl-L-histidine C9H14N4O3 0 C00386 439224 57485 CQOVPNPJLQNMDC-ZETCQYMHSA-N HMDB00033 02/07/2014 Peptide metabolism alahisala Alanyl-Histidyl-Alanine C12H19N5O4 0 JDIQCVUDDFENPU-ZKWXMUAHSA-N 03/01/2017 Peptide metabolism alaile Alanyl-Isoleucine C9H18N2O3 C9H18N2O3 0 21/10/2019 Peptide metabolism alalac D_Alanyl_D_lactate X 0 02/07/2014 alaleu L-alanyl-L-leucine C9H18N2O3 0 02/07/2014 Peptide metabolism alalys Alanyl-Lysine C9H19N3O3 C9H19N3O3 0 21/10/2019 Peptide metabolism alalysthr Alanyl-Lysine-Threonine C13H27N4O5 1 OINVDEKBKBCPLX-QEYWKRMJSA-O 03/01/2017 Peptide metabolism alathr L-alanyl-L-threonine C7H14N2O4 0 02/07/2014 Peptide metabolism alatrna L-Alanyl-tRNA(Ala) C3H6NOR 1 02/07/2014 alaval Alanyl-Valine C8H16N2O3 C8H16N2O3 0 21/10/2019 Peptide metabolism alchac Allolithocholic acid C24H40O3 C24H39O3 -1 HMDB00381 15/03/2017 Bile acid metabolism aldh Aldehyde CHOR 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism alds Aldose C2H3O2R 0 19/09/2018 Fructose and mannose metabolism aldstrn aldosterone C21H28O5 0 C01780 24758425 27584 PQSUYGKTWSAVDQ-ZVIOFETBSA-N HMDB00037 02/07/2014 Steroid metabolism alfsd alpha-L-Fucoside C6H11O5R 0 19/09/2018 N-glycan degradation algin Alginic acid, polymer of (LGulA)3 (ManA)3 C36H48O36 C36H48O36 0 G00316 26/08/2019 Plant polysaccharide degradation alipp applipoprotein C3H6NOR2S 1 12/11/2020 Cell wall biosynthesis alkag 1-Alkyl-2-acylglycerol C4H6O4R2 0 30/09/2018 alkagpeamn 1-Alkyl-2-acylglycerophosphoethanolamine C6H11NO7PR2 -1 19/09/2018 alkylR1oh hydroxy alkyl chain C2H5OFULLR 0 02/07/2014 Glycerophospholipid metabolism all_D D-Allose C6H12O6 0 02/07/2014 Fructose and mannose metabolism all6p D-Allose 6-phosphate C6H11O9P -2 02/07/2014 Fructose and mannose metabolism allop allopurinol C5H4N4O C5H4N4O 0 D00224 2094 OFCNXPDARWKPPY-UHFFFAOYSA-N HMDB0014581 02/07/2014 Drug metabolism allphn Allophanate C2H3N2O3 -1 C01010 02/07/2014 Arginine and proline metabolism alltn Allantoin C4H6N4O3 0 C01551 204 15676 POJWUDADGALRAB-UHFFFAOYSA-N HMDB00462 02/07/2014 Purine catabolism alltn_R (R)-Allantoin C4H6N4O3 C4H6N4O3 0 02/07/2014 Others alltt allantoate C4H7N4O4 -1 C00499 203 30837 NUCLJNSWZCHRKL-UHFFFAOYSA-M HMDB01209 02/07/2014 Purine catabolism allul6p Allulose 6-phosphate C6H11O9P -2 02/07/2014 Fructose and mannose metabolism alnpn Alanopine C6H11NO4 C6H10NO4 -1 19/09/2018 Beta-alanine metabolism alpa_hs Lysophosphatidic Acid C3H4O5PFULLRCO2 -2 WRGQSWVCFNIUNZ-KTKRTIGZSA-N 02/07/2014 Glycerophospholipid metabolism alpam S-aminomethyldihydrolipoamide C9H21N2OS2 1 24906333 50622 KALYVIJGKPJBQV-UHFFFAOYSA-O HMDB06239 02/07/2014 Glycine, serine, alanine, and threonine metabolism alpp applipoprotein X 0 02/07/2014 alpro S-Aminomethyldihydrolipoylprotein CH6NS2X 1 C01242 16882 02/07/2014 Glycine, serine, alanine, and threonine metabolism alpz_4oh 4-Hydroxyalprazolam C17H13ClN4O C17H13ClN4O 0 182017 01/03/2019 Drug metabolism alpz_4oh_glc 4-Hydroxyalprazolam Glucuronide C23H21ClN4O7 C23H20ClN4O7 -1 01/03/2019 Drug metabolism alpz_aoh Alpha-Hydroxyalprazolam C17H13ClN4O C17H13ClN4O 0 162244 01/03/2019 Drug metabolism alpz_aoh_glc Alpha-Hydroxyalprazolam Glucuronide C23H21ClN4O7 C23H20ClN4O7 -1 3083404 01/03/2019 Drug metabolism altrn D-Altronate C6H11O7 -1 02/07/2014 Pentose and glucuronate interconversions am14 Desmethylalfentanil (AM14) C20H30N6O3 C20H31N6O3 1 01/03/2019 Drug metabolism am14_glc Desmethylalfentanil Glucuronide (AM14 Glucuronide) C26H38N6O9 C26H39N6O9 1 01/03/2019 Drug metabolism am19cs AM19 (cyclosporine) C62H111N11O14 C62H111N11O14 0 02/07/2014 Drug metabolism am1a4ncs AM1A4N (cyclosporine) C61H107N11O14 C61H106N11O14 -1 02/07/2014 Drug metabolism am1accs AM1Ac (cyclosporine) C62H109N11O14 C62H108N11O14 -1 02/07/2014 Drug metabolism am1acs AM1A (cyclosporine) C62H109N11O14 C62H108N11O14 -1 02/07/2014 Drug metabolism am1alcs AM1AL (cyclosporine) C62H109N11O13 C62H109N11O13 0 02/07/2014 Drug metabolism am1c4n9cs AM1c4N9 (cyclosporine) C61H109N11O14 C61H109N11O14 0 02/07/2014 Drug metabolism am1c9cs AM1c9 (cyclosporine) C62H111N11O14 C62H111N11O14 0 02/07/2014 Drug metabolism am1ccs AM1c (cyclosporine) C62H111N11O13 C62H111N11O13 0 02/07/2014 Drug metabolism am1cglc AM1c-glucuronide (cyclosporine) C68H119N11O19 C68H118N11O19 -1 02/07/2014 Drug metabolism am1csa AM1 (cyclosporine) C62H111N11O13 C62H111N11O13 0 02/07/2014 Drug metabolism am4n9cs AM4N9 (cyclosporine) C61H109N11O13 C61H109N11O13 0 02/07/2014 Drug metabolism am4ncs AM4N (cyclosporine) C61H109N11O12 C61H109N11O12 0 02/07/2014 Drug metabolism am5 N-(4-Hydroxyphenyl)Propanamide (AM5) C9H13NO2 C9H13NO2 0 74325 01/03/2019 Drug metabolism am5_glc N-(4-Hydroxyphenyl)Propanamide Glucuronide (AM5 Glucuronide) C15H21NO8 C15H21NO8 0 01/03/2019 Drug metabolism am6 Desmethylnoralfentanil (AM6) C15H22N2O2 C15H23N2O2 1 01/03/2019 Drug metabolism am6_glc Desmethylnoralfentanil Glucuronide (AM6 Glucuronide) C21H30N2O8 C21H31N2O8 1 01/03/2019 Drug metabolism am6sa 2-aminomuconate 6-semialdehyde(1-) C6H7NO3 0 C03824 5280625 15745 QCGTZPZKJPTAEP-REDYYMJGSA-N HMDB01280 02/07/2014 Tryptophan metabolism am9csa AM9 (cyclosporine) C62H111N11O13 C62H111N11O13 0 02/07/2014 Drug metabolism ama1aagcn Avermectin A1a aglycone C35H50O8 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides ama1bagcn Avermectin A1b aglycone C34H48O8 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides ama2aagcn Avermectin A2a aglycone C35H52O9 0 19/09/2018 Isoquinoline alkaloid biosynthesis ama2bagcn Avermectin A2b aglycone C34H50O9 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides amb1aagcn Avermectin B1a aglycone C34H48O8 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides amb1bagcn Avermectin B1b aglycone C33H46O8 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides amb2aagcn Avermectin B2a aglycone C34H50O9 0 19/09/2018 Isoquinoline alkaloid biosynthesis amb2bagcn Avermectin B2b aglycone C33H48O9 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides amboappn L-alpha-Amino-beta-oxalylaminopropionic acid C5H7N2O5 -1 19/09/2018 Oxalate metabolism amd Amide CH2NOR 0 19/09/2018 Miscellaneous amdp Amidophosphoric acid H2NO3P -2 19/09/2018 Glycolysis/gluconeogenesis amdpcmnt Amidinoproclavaminate C9H16N4O4 0 19/09/2018 Clavulanic acid biosynthesis amet S-Adenosyl-L-methionine C15H23N6O5S 1 C00019 16757548 15414 MEFKEPWMEQBLKI-AIRLBKTGSA-O HMDB01185 02/07/2014 Androgen and estrogen synthesis and metabolism ametam S-Adenosylmethioninamine C14H24N6O3S 2 C01137 439415 15625 ZUNBITIXDCPNSD-LSRJEVITSA-O HMDB00988 02/07/2014 Arginine and proline metabolism amina Amino acid C2H3NO2R -1 28/09/2018 Glutathione metabolism amio Amiodarone C25H29I2NO3 C25H30I2NO3 1 C06823 2157 01/03/2019 Drug metabolism amio_c Carboxylamiodarone (M12) C25H27I2NO5 C25H26I2NO5 -1 01/03/2019 Drug metabolism amio_c_glc Carboxylamiodarone Glucuronide (M19) C31H35I2NO11 C31H34I2NO11 -1 01/03/2019 Drug metabolism amio_glc Amiodarone Glucuronide (M16) C31H37I2NO9 C31H38I2NO9 1 01/03/2019 Drug metabolism amld Ammelide C3H4N4O2 0 19/09/2018 Atrazine degradation amn_b_gly 4-Aminobenzoylglycine C9H10N2O3 C9H9N2O3 -1 126722012 01/03/2019 Drug metabolism amn_b_gly_glc 4-Aminobenzoylglycine Glucuronide C15H18N2O9 C15H16N2O9 -2 01/03/2019 Drug metabolism amntd_m6 Oxidation Product Of M3 M6 C12H21NO C12H22NO 1 01/03/2019 Drug metabolism amntd_m6_glc Amantadine M6 Glucuronide C18H29NO7 C18H29NO7 0 01/03/2019 Drug metabolism amob S-Adenosyl-4-methylthio-2-oxobutanoate C15H19N5O6S 0 02/07/2014 Biotin metabolism amopbut_L 2-Amino-3-oxo-4-phosphonooxybutyrate C4H8NO7P C4H6NO7P -2 C07335 77851 02/07/2014 Vitamin B6 metabolism amp AMP C10H12N5O7P -2 C00020 6083 16027 UDMBCSSLTHHNCD-KQYNXXCUSA-L HMDB00045 02/07/2014 Alanine and aspartate metabolism amplpsn Ampelopsin C15H12O8 C15H12O8 0 C02906 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism amuco 2-aminomuconate(2-) C6H6NO4 -1 C02220 5280499 16886 ZRHONLCTYUYMIQ-TZFCGSKZSA-M HMDB01241 02/07/2014 Lysine metabolism amylopect900 Amylopectin, 900 repeat units C5400H9002O4501 C5400H9002O4501 0 C00317 439207 WMGFVAGNIYUEEP-WUYNJSITSA-N HMDB03255 17/03/2015 Starch and sucrose metabolism amylose300 amylose (n=300 repeat units, alpha-1,4-glc) C1800H3002O1501 0 02/07/2014 Starch and sucrose metabolism ananmlbgr alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-R C17H27NO14R -1 19/09/2018 N-glycan degradation and19one 19-Hydroxyandrost-4-Ene-3,17-Dione C19H26O3 0 XGUHPTGEXRHMQQ-CXOXHQNKSA-N 03/01/2017 Steroid metabolism andrstandn 5alpha-androstane-3,17-dione C19H28O2 0 C00674 222865 15994 RAJWOBJTTGJROA-WZNAKSSCSA-N HMDB00899 02/07/2014 Steroid metabolism andrstndn androst-4-ene-3,17-dione C19H26O2 0 C00280 6128 16422 AEMFNILZOJDQLW-QAGGRKNESA-N HMDB00053 02/07/2014 Steroid hormone biosynthesis andrstrn androsterone C19H30O2 0 C00523 12306765 16032 QGXBDMJGAMFCBF-HLUDHZFRSA-N HMDB00031 02/07/2014 Androgen and estrogen synthesis and metabolism andrstrnglc androsterone 3-glucosiduronic acid C25H38O8 0 C11135 114833 28832 VFUIRAVTUVCQTF-BSOWLZGZSA-N HMDB02829 02/07/2014 Steroid metabolism anhgm N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid C19H29N2O12 -1 02/07/2014 Cell wall biosynthesis anhgm3p N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tripeptide C34H52N6O19 -2 02/07/2014 Cell wall biosynthesis anhgm4p N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tetrapeptide C37H57N7O20 -2 02/07/2014 Cell wall biosynthesis anhm 1,6-anhydrous-N-Acetylmuramate C11H16NO7 -1 02/07/2014 Cell wall biosynthesis anhm3p 1,6-anhydrous-N-Acetylmuramyl-tripeptide C26H39N5O14 -2 02/07/2014 Cell wall biosynthesis anhm4p 1,6-anhydrous-N-Acetylmuramyl-tetrapeptide C29H44N6O15 -2 02/07/2014 Cell wall biosynthesis anhtcycln Anhydrotetracycline C22H22N2O7 0 19/09/2018 Xenobiotics metabolism anplgln alpha-N-Peptidyl-L-glutamine C11H15N5O6R3 -1 19/09/2018 Peptide metabolism anplglu alpha-N-Peptidyl-L-glutamate C11H13N4O7R3 -2 19/09/2018 Peptide metabolism anpt alpha-Naphthoic acid C11H7O2 -1 19/09/2018 Xenobiotics metabolism ansrn Anserine C10H16N4O3 0 19/09/2018 Beta-alanine metabolism anth anthranilate C7H6NO2 -1 C00108 227 30754 RWZYAGGXGHYGMB-UHFFFAOYSA-M HMDB01123 02/07/2014 Aminobenzoate degradation anthcoa Anthranilyl-CoA C28H41N8O17P3S C28H37N8O17P3S -4 C02247 01/07/2019 Aminobenzoate degradation antipyrene antipyrine C11H12N2O 0 C13244 2206 31225 VEQOALNAAJBPNY-UHFFFAOYSA-N HMDB0015503 02/07/2014 Cytochrome metabolism anzp 7-Amino Nitrozepam C15H13N3O C15H13N3O 0 78641 01/03/2019 Drug metabolism aoacd Aliphatic oxo acid C3H3O3R 0 19/09/2018 Miscellaneous ap4a P(1),P(4)-bis(5-adenosyl) tetraphosphate(4-) C20H24N10O19P4 -4 C01260 21706 17422 YOAHKNVSNCMZGQ-XPWFQUROSA-J HMDB01211 02/07/2014 Nucleotide interconversion ap5a P1,P5-Bis(5-adenosyl) pentaphosphate C20H24N10O22P5 -5 02/07/2014 Purine catabolism apcdvrn Aminopropylcadaverine C8H24N3 3 19/09/2018 Isoquinoline alkaloid biosynthesis apcoac Apo-[propionyl-CoA-carboxylase (ATP-hydrolysing)] C7H13N3O2R2 0 19/09/2018 apdalds ADP-aldose C16H23N5O15P2 -2 19/09/2018 Miscellaneous apg120 acyl phosphatidylglycerol (n-C12:0) C42H80O11P -1 02/07/2014 Glycerophospholipid metabolism apg140 acyl phosphatidylglycerol (n-C14:0) C48H92O11P -1 02/07/2014 Glycerophospholipid metabolism apg141 acyl phosphatidylglycerol (n-C14:1) C48H86O11P -1 02/07/2014 Glycerophospholipid metabolism apg160 acyl phosphatidylglycerol (n-C16:0) C54H104O11P -1 02/07/2014 Glycerophospholipid metabolism apg161 acyl phosphatidylglycerol (n-C16:1) C54H98O11P -1 02/07/2014 Glycerophospholipid metabolism apg180 acyl phosphatidylglycerol (n-C18:0) C60H116O11P -1 02/07/2014 Glycerophospholipid metabolism apg181 acyl phosphatidylglycerol (n-C18:1) C60H110O11P -1 02/07/2014 Glycerophospholipid metabolism apgn Apigenin C15H10O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism apifrl Apiforol C15H14O5 C15H14O5 0 C12124 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism apio_D D-Apiose (rare sugar in rhamnogalacturonan II) C5H10O5 0 C01488 ASNHGEVAWNWCRQ-UHFFFAOYSA-N HMDB0029941 02/07/2014 Plant polysaccharide degradation apnnox alpha-pinene oxide C10H16O 0 C02759 91508 29060 NQFUSWIGRKFAHK-UHFFFAOYSA-N HMDB03667 02/07/2014 Limonene and pinene degradation apoACP apoprotein [acyl carrier protein] RHO 0 02/07/2014 CoA synthesis apoC Apocarboxlase (no lys residue) XH 0 02/07/2014 Biotin metabolism apoC_Lys Apocarboxylase (Lys residue) C6H13N2OX 0 02/07/2014 Biotin metabolism apoC_Lys_btn Holocarboxylase (biotin covalent bound to Lys residue of apoC) C16H27N4O3SX 0 C06250 02/07/2014 Biotin metabolism apolpp Braun apolipoprotein C292H498N87O98S2 0 02/07/2014 app R-1-Amino-2-propanol C3H9NO 0 02/07/2014 appl 1-Aminopropan-2-ol C3H10NO 1 C05771 4 19030 HXKKHQJGJAFBHI-UHFFFAOYSA-N HMDB0012136 02/07/2014 Glycine, serine, alanine, and threonine metabolism applp D-1-Aminopropan-2-ol O-phosphate C3H9NO4P -1 C04122 02/07/2014 Glycine, serine, alanine, and threonine metabolism appmd Aldophosphamide C7H15N2O3PCl2 0 19/09/2018 Xenobiotics metabolism appnn (+)-alpha-pinene C10H16 0 C09880 6654 36740 GRWFGVWFFZKLTI-UHFFFAOYSA-N HMDB06525 02/07/2014 Limonene and pinene degradation appp D-1-Aminopropan-2-ol-O-phosphate C3H9NO4P 0 02/07/2014 aprgstrn (20S)-20-hydroxypregn-4-en-3-one C21H32O2 0 C04042 92747 28453 RWBRUCCWZPSBFC-RXRZZTMXSA-N HMDB03069 02/07/2014 Steroid metabolism aprut N-acetylputrescinium C6H15N2O 1 C02714 122356 17768 KLZGKIDSEJWEDW-UHFFFAOYSA-O HMDB02064 02/07/2014 Arginine and proline metabolism aps 5-adenylyl sulfate(2-) C10H12N5O10PS -2 C00224 10238 17709 IRLPACMLTUPBCL-KQYNXXCUSA-L HMDB01003 02/07/2014 Nucleotide interconversion aptrpn Acetylpseudotropine C10H17NO2 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis ara5p D-Arabinose 5-phosphate C5H9O8P -2 HMDB0011734 02/07/2014 Lipopolysaccharide biosynthesis arab_D D-Arabinose C5H10O5 C5H10O5 0 HMDB0029942 02/07/2014 Lipopolysaccharide biosynthesis arab_L L-arabinose C5H10O5 0 C00259 439195 17535 SRBFZHDQGSBBOR-HWQSCIPKSA-N HMDB00646 02/07/2014 Ascorbate and aldarate metabolism arabinan101 Arabinan C509H812O410 -2 C02474 02/07/2014 Plant polysaccharide degradation arabinogal Larch arabinogalactan C3862H6376O3218 0 C00569 02/07/2014 Plant polysaccharide degradation arabinoxyl Arabinoxylan C276H446O223 C276H446O223 0 G03769 27/03/2015 Plant polysaccharide degradation arabnont D-Arabinonate C5H9O6 -1 19/09/2018 Pentose and glucuronate interconversions arabt_L L-Arabinonate C5H10O6 C5H9O6 -1 02/07/2014 Ascorbate and aldarate metabolism arabttr Arabinotriose C15H26O13 0 02/07/2014 Plant polysaccharide degradation arach arachidate C20H39O2 -1 C06425 10467 28822 VKOBVWXKNCXXDE-UHFFFAOYSA-M HMDB02212 02/07/2014 Fatty acid synthesis arachcoa arachidyl coenzyme A C41H70N7O17P3S -4 C02041 16061151 15527 JYLSVNBJLYCSSW-IBYUJNRCSA-J HMDB04258 02/07/2014 Fatty acid oxidation arachcrn arachidyl carnitine C27H53NO4 0 53477833 SVJLJQBGUITFLI-UHFFFAOYSA-N HMDB06460 02/07/2014 Fatty acid oxidation arachd arachidonate C20H31O2 -1 C00219 444899 15843 YZXBAPSDXZZRGB-DOFZRALJSA-M HMDB01043 02/07/2014 Arachidonic acid metabolism arachdcoa arachidonoyl-CoA(4-) C41H62N7O17P3S -4 C02249 16061152 57368 JDEPVTUUCBFJIW-CBDUQTIMSA-J HMDB06523 02/07/2014 Fatty acid oxidation arachdcrn C20:4 carnitine C27H45NO4 0 HIVCWXCOIPSVAX-VNJAOWETSA-O 02/07/2014 Fatty acid oxidation aracheth O-Arachidonoyl Ethanolamine C22H38NO2 1 DLHLOYYQQGSXCC-CDIMZWLNSA-O 03/01/2017 Glycerophospholipid metabolism aragund O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate C71H115N1O17P2 -2 02/07/2014 arbt Arbutin C12H16O7 0 C06186 346 BJRNKVDFDLYUGJ-UHFFFAOYSA-N HMDB0029943 02/07/2014 Histone phosphorylation arbt6p Arbutin 6-phosphate C12H15O10P -2 02/07/2014 Glycolysis/gluconeogenesis arbtn aerobactin minus Fe3 C22H33N4O13 -3 02/07/2014 arbtn_fe3 Aerobactin C22H33FeN4O13 0 02/07/2014 arg_D D-arginine C6H15N4O2 1 C00792 71070 15816 ODKSFYDXXFIFQN-SCSAIBSYSA-O HMDB03416 02/07/2014 Arginine and proline metabolism arg_L L-arginine C6H15N4O2 1 C00062 6322 16467 ODKSFYDXXFIFQN-BYPYZUCNSA-O HMDB00517 02/07/2014 Alanine and aspartate metabolism argalaala Arginyl-Alanyl-Alanine C12H25N6O4 1 OOBVTWHLKYJFJH-FXQIFTODSA-N 03/01/2017 Peptide metabolism argalaphe Arginyl-Alanine-Phenylalanine C18H29N6O4 1 SBVJJNJLFWSJOV-IACUBPJLSA-O 03/01/2017 Peptide metabolism argalathr Arginyl-Alanyl-Threonine C13H27N6O5 1 OTOXOKCIIQLMFH-KKVHJZIVSA-O 03/01/2017 Peptide metabolism argarg L-argininyl-L-arginine C12H28N8O3 2 OMLWNBVRVJYMBQ-JGVFFNPUSA-P 02/07/2014 Peptide metabolism argarglys Arginyl-Arginyl-Lysine C18H41N10O4 3 HJVGMOYJDDXLMI-XQQFMLRXSA-Q 03/01/2017 Peptide metabolism argargmet Arginyl-Arginyl-Metheonine C17H37N9O4S 2 HJWQFFYRVFEWRM-TUAOUCFPSA-P 03/01/2017 Peptide metabolism argcysgly Arginyl-Cystinyl-Glycine C11H23N6O4S 1 YUGFLWBWAJFGKY-NKWVEPMBSA-O 03/01/2017 Peptide metabolism argcysser Arginyl-Cystinyl-Serine C12H25N6O5S 1 JVMKBJNSRZWDBO-BIIVOSGPSA-O 03/01/2017 Peptide metabolism arggluglu Arginyl-Glutamyl-Glutamate C16H27N6O8 -1 PNQWAUXQDBIJDY-AEJSXWLSSA-M 03/01/2017 Peptide metabolism argglupro Arginyl-Glutamyl-Proline C16H28N6O6 0 HPSVTWMFWCHKFN-AXFHLTTASA-N 03/01/2017 Peptide metabolism argglygly Arginyl-Glycyl-Glycine C10H21N6O4 1 CYXCAHZVPFREJD-LURJTMIESA-O 03/01/2017 Peptide metabolism arghisthr Arginyl-Histidyl-Threonine C16H29N8O5 1 CVKOQHYVDVYJSI-QTKMDUPCSA-N 03/01/2017 Peptide metabolism argleuphe Arginyl-Leucyl-Phenylalanine C21H35N6O4 1 IIAXFBUTKIDDIP-BBWFWOEESA-O 03/01/2017 Peptide metabolism arglysasp Arginyl-Lysyl-Aspartate C16H32N7O6 1 MJINRRBEMOLJAK-AXFHLTTASA-O 03/01/2017 Peptide metabolism argp L-Phosphoarginine (iYO844) C6H14N4O5P -1 C05945 HMDB29438 08/03/2016 Arginine and proline metabolism argphearg Arginyl-Phenylalanine-Arginine C21H37N9O4 2 INXWADWANGLMPJ-HRCADAONSA-P 03/01/2017 Peptide metabolism argpromet Arginyl-Prolyl-Methionine C16H31N6O4S 1 JJIBHAOBNIFUEL-SDDRHHMPSA-O 03/01/2017 Peptide metabolism argprothr Arginyl-Prolyl-Threonine C15H29N6O5 1 AWMAZIIEFPFHCP-VKRYWUJJSA-O 03/01/2017 Peptide metabolism argserser Arginyl-Seryl-Serine C12H25N6O6 1 FRBAHXABMQXSJQ-RNJXMRFFSA-O 03/01/2017 Peptide metabolism argsuc N(omega)-(L-Arginino)succinate C10H17N4O6 -1 C03406 16950 57472 KDZOASGQNOPSCU-ZBHICJROSA-M HMDB00052 02/07/2014 Alanine and aspartate metabolism argtrna L-Arginyl-tRNA(Arg) C6H14N4OR 2 02/07/2014 argtyrval Argtyrval C20H33N6O5 1 XMZZGVGKGXRIGJ-XHSDSOJGSA-O 03/01/2017 Peptide metabolism argvalcys Arginyl-Valyl-Cysteine C14H29N6O4S 1 FTMRPIVPSDVGCC-LPEHRKFASA-O 03/01/2017 Peptide metabolism argvaltrp Arginyl-Valyl-Tryptophan C22H34N7O4 1 UTSMXMABBPFVJP-RYQLBKOJSA-O 03/01/2017 Peptide metabolism armddrn Aromadendrin C15H12O6 C15H12O6 0 C00974 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism arsenb Arsenobetaine C5H12AsO2 C5H12AsO2 0 HMDB0033206 02/07/2014 arthl Aryl thiol HRS 0 19/09/2018 Sulfur metabolism ascb_L L-ascorbate C6H7O6 -1 C00072 54670067 29073 CIWBSHSKHKDKBQ-JLAZNSOCSA-M HMDB00044 02/07/2014 Ascorbate and aldarate metabolism ascb6p L-ascorbate-6-phosphate C6H7O9P -2 02/07/2014 Ascorbate and aldarate metabolism asdn Aureusidin C15H10O6 0 19/09/2018 Xenobiotics metabolism asdn6og Aureusidin 6-O-glucoside C21H20O11 0 19/09/2018 Xenobiotics metabolism aslfnt Alkyl sulfenate ORS -1 19/09/2018 Sulfur metabolism asn_L L-asparagine C4H8N2O3 0 C00152 6267 17196 DCXYFEDJOCDNAF-REOHCLBHSA-N HMDB00168 02/07/2014 Alanine and aspartate metabolism Asn_X_Ser_Thr protein-linked asparagine residue (N-glycosylation site) XH 0 C03021 02/07/2014 Keratan sulfate degradation asnasnarg Asparaginyl-Asparaginyl-Arginine C14H27N8O6 1 HAJWYALLJIATCX-BIIVOSGPSA-O 03/01/2017 Peptide metabolism asncyscys Asparaginyl-Cysteinyl-Cysteine C10H18N4O5S2 0 RFLVTVBAESPKKR-ZLUOBGJFSA-N 03/01/2017 Peptide metabolism asnmetpro Asparaginyl-Methionyl-Proline C14H24N4O5S 0 WCRQQIPFSXFIRN-QIIDTADFSA-N 03/01/2017 Peptide metabolism asnpheasp Asparaginyl-Phenylalanyl-Aspartate C17H21N4O7 -1 LSJQOMAZIKQMTJ-TUAOUCFPSA-M 03/01/2017 Peptide metabolism asnphecys Asparaginyl-Phenylalanyl-Cysteine C16H22N4O5S 0 BSBNNPICFPXDNH-TUAOUCFPSA-N 03/01/2017 Peptide metabolism asntrna L-Asparaginyl-tRNA(Asn) C14H24N2O12PR2 1 02/07/2014 asntyrgly Asparaginyl-Tyrosyl-Glycine C15H20N4O6 0 YSYTWUMRHSFODC-WDEREUQCSA-N 03/01/2017 Peptide metabolism asntyrphe Asparaginyl-Tyrosyl-Phenylalanine C22H26N4O6 0 QUCCLIXMVPIVOB-KSZLIROESA-N 03/01/2017 Peptide metabolism asntyrthr Asparaginyl-Tyrosyl-Threonine C17H24N4O7 0 XEGZSHSPQNDNRH-RBQWDTSBSA-N 03/01/2017 Peptide metabolism aso3 arsenite AsO3 -3 C06697 544 HMDB0011620 02/07/2014 Respiration aso4 arsenate AsO4 -3 C01478 234 DJHGAFSJWGLOIV-UHFFFAOYSA-N HMDB0012190 02/07/2014 Respiration asp_D D-aspartate C4H6NO4 -1 C00402 83887 17364 CKLJMWTZIZZHCS-UWTATZPHSA-M HMDB0648 02/07/2014 Alanine and aspartate metabolism asp_L L-aspartate C4H6NO4 -1 C00049 5960 17053 CKLJMWTZIZZHCS-REOHCLBHSA-M HMDB00191 02/07/2014 Alanine and aspartate metabolism aspalaarg Asparaginyl-Alanyl-Arginine C13H24N6O6 0 UWMIZBCTVWVMFI-XLPZGREQSA-N 03/01/2017 Peptide metabolism aspasnglu Aspartyl-Asparaginyl-Glutamate C13H18N4O9 -2 ZELQAFZSJOBEQS-LYFYHCNISA-L 03/01/2017 Peptide metabolism aspglu Aspartyl-Glutamate C9H12N2O7 -2 CKAJHWFHHFSCDT-ROLXFIACSA-L 03/01/2017 Peptide metabolism aspglupro Aspartyl-Glutamyl-Proline C14H19N3O8 -2 ZEDBMCPXPIYJLW-UEJVZZJDSA-L 03/01/2017 Peptide metabolism aspglutrp Aspartyl-Glutamyl-Tryptophan C20H22N4O8 -2 GISFCCXBVJKGEO-CFVMTHIKSA-L 03/01/2017 Peptide metabolism aspgst Asparagusate C4H5O2S2 -1 19/09/2018 Others asphiscys Aspartyl-Histidyl-Cysteine C13H18N5O6S -1 CMCIMCAQIULNDJ-YIZRAAEISA-M 03/01/2017 Peptide metabolism asphispro Aspartyl-Histidyl-Proline C15H20N5O6 -1 UBPMOJLRVMGTOQ-HBNTYKKESA-M 03/01/2017 Peptide metabolism asplysglu Aspartyl-Lysyl-Glutamate C15H25N4O8 -1 VSMYBNPOHYAXSD-AEJSXWLSSA-M 03/01/2017 Peptide metabolism asplyshis Aspartyl-Lysyl-Histidine C16H26N6O6 0 AKKUDRZKFZWPBH-TUAOUCFPSA-N 03/01/2017 Peptide metabolism aspmetasp Aspartyl-Methionyl-Aspartate C13H19N3O8S -2 WWOYXVBGHAHQBG-RNJXMRFFSA-L 03/01/2017 Peptide metabolism aspprolys Aspartyl-Prolyl-Lysine C15H26N4O6 0 UAXIKORUDGGIGA-DCAQKATOSA-N 03/01/2017 Peptide metabolism aspsa L-Aspartate 4-semialdehyde C4H7NO3 0 02/07/2014 Alanine and aspartate metabolism asptrna L-Aspartyl-tRNA(Asp) C4H5NO3R 0 02/07/2014 aspvalasn Aspartyl-Valyl-Asparagine C13H21N4O7 -1 PLOKOIJSGCISHE-MHYGZLNHSA-M 03/01/2017 Peptide metabolism aspvne Aspulvinone E C17H11O5 -1 19/09/2018 Terpenoid backbone biosynthesis aspvnh Aspulvinone H C27H27O5 -1 19/09/2018 Terpenoid backbone biosynthesis athis Adenylyl-[ThiS protein] C11H13N5O8PR C11H12N5O8PR -1 C15813 12/07/2018 Thiamine metabolism athr_L L-Allo-threonine C4H9NO3 0 02/07/2014 Glycine, serine, alanine, and threonine metabolism atnodp all-trans-Nonaprenyl diphosphate; solanesyl diphosphate C45H76O7P2 C45H73O7P2 -3 C04145 6830 18144 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O 10/03/2015 Terpenoid backbone biosynthesis atp ATP C10H12N5O13P3 -4 C00002 5957 15422 ZKHQWZAMYRWXGA-KQYNXXCUSA-J HMDB00538 02/07/2014 Alanine and aspartate metabolism atrzn Atrazine C8H14N5Cl 0 19/09/2018 Xenobiotics metabolism atvacid atorvastatin-acid C33H35FN2O5 C33H34FN2O5 -1 02/07/2014 Drug metabolism atvacylgluc atorvastatin-acyl-glucuronide / G2 C39H43FN2O11 C39H42FN2O11 -1 02/07/2014 Drug metabolism atvethgluc atorvastatin-ether-glucuronide -G1 C45H51FN2O17 C45H48FN2O17 -3 02/07/2014 Drug metabolism atvlac atorvastatin-lactone C33H33FN2O4 C33H33FN2O4 0 D07474 60823 02/07/2014 Drug metabolism atvlacgluc atorvastatin-lactone-ether-glucuronide / G3 C39H41FN2O10 C39H40FN2O10 -1 02/07/2014 Drug metabolism au Gold-Au Au 0 02/07/2014 avite1 (+)-alpha-tocopherol C29H50O2 0 C02477 14985 18145 GVJHHUAWPYXKBD-IEOSBIPESA-N HMDB01893 02/07/2014 Vitamin E metabolism avite2 alpha-tocotrienol C29H44O2 0 C14153 5282347 33270 RZFHLOLGZPDCHJ-XZXLULOTSA-N HMDB06327 02/07/2014 Vitamin C metabolism avktn Auraviketone C21H16O8 0 19/09/2018 Xenobiotics metabolism axyl1p alpha-D-Xylose 1-phosphate C5H10O8P -1 19/09/2018 Nucleotide sugar metabolism b2coa crotonoyl-CoA(4-) C25H36N7O17P3S -4 C00877 5280381 57332 KFWWCMJSYSSPSK-MIZOYAPFSA-J HMDB02009 02/07/2014 Butanoate metabolism balnlcoa beta-Alanyl-CoA C24H39N8O17P3S -2 19/09/2018 Beta-alanine metabolism balnpn beta-Alanopine C6H10NO4 -1 19/09/2018 Beta-alanine metabolism bamppald beta-Aminopropion aldehyde C3H8NO 1 C05665 75 18090 PCXDJQZLDDHMGX-UHFFFAOYSA-O HMDB01106 02/07/2014 Beta-alanine metabolism band Band Membrane Protein (Universal, Erythrocyte --> 2.1,3,4.1) BaH 0 02/07/2014 Miscellaneous bandmt Band Membrane Protein (Methylated, Universal, Erythrocyte -> 2.1,3,4.1) BaCH3 0 02/07/2014 Miscellaneous bbtcoa gamma-butyrobetainyl-CoA C28H46N8O17P3S -3 02/07/2014 Fatty acid oxidation bchlmthn Bromochloromethane CH2ClBr 0 19/09/2018 Xenobiotics metabolism bdf2ph beta-D-Fructose 2-phosphate C6H12O9P -1 19/09/2018 Fructose and mannose metabolism bdg2hc cis-beta-D-Glucosyl-2-hydroxycinnamate C15H18O8 0 C05839 5316113 62251 GVRIYIMNJGULCZ-QLFWQTQQSA-N HMDB0060077 02/07/2014 Stilbene, coumarine and lignin synthesis bdgalsd beta-D-Galactoside C6H11O6R 0 19/09/2018 N-glycan degradation bdggpglcn beta-D-Glucuronyl-1,3-D-galactosylproteoglycan C27H41N2O23R2 -1 19/09/2018 Heparan sulfate degradation bdglurd beta-D-Glucuronide C6H8O7R -1 19/09/2018 Pentose and glucuronate interconversions bdmnsd beta-D-Mannoside C6H11O6R 0 19/09/2018 N-glycan degradation berbn Berberine C20H18NO4 C20H18NO4 1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism bergptl Bergaptol C11H6O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism bergptn Bergapten C12H8O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism betald betaine aldehyde C5H12NO 1 C00576 249 15710 SXKNCCSPZDCRFD-UHFFFAOYSA-N HMDB01252 02/07/2014 Glycerophospholipid metabolism bglc beta-glucans C1200000H2000002O1000001 0 02/07/2014 Dietary fiber binding bgly N-benzoylglycinate C9H8NO3 -1 C01586 464 18089 QIAFMBKCNZACKA-UHFFFAOYSA-M HMDB00714 02/07/2014 Hippurate metabolism bglycogen branching glycogen C6H10O5 0 02/07/2014 Starch and sucrose metabolism bhb (R)-3-hydroxybutyrate C4H7O3 -1 C01089 92135 17066 WHBMMWSBFZVSSR-GSVOUGTGSA-M HMDB00011 02/07/2014 Butanoate metabolism bhpm (Bis-(P-Hydroxyphenyl)-Pyridyl-2-Methane C18H15NO2 C18H15NO2 0 01/03/2019 Drug metabolism bhpm_glc Bis-(P-Hydroxy-Phenyl)-Pyridyl-2-Methane Glucuronide C24H23NO8 C24H23NO8 0 01/03/2019 Drug metabolism bildglcur bis(beta-glucosyluronate)bilirubin C45H50N4O18 -2 C05787 5459911 18392 SCJLWMXOOYZBTH-GIDSPALLSA-L HMDB03325 02/07/2014 Heme degradation bilea Bile_acid C24H39O5 0 02/07/2014 bilglcur mono(glucosyluronic acid)bilirubin(2-) C39H42N4O12 -2 C03374 57767 ARBDURHEPGRPSR-JTCNQIQHSA-N 02/07/2014 Heme degradation bilirub bilirubin(2-) C33H34N4O6 -2 C00486 5280352 16990 BPYKTIZUTYGOLE-IFADSCNNSA-L HMDB00054 02/07/2014 Heme degradation biliverd biliverdin(2-) C33H32N4O6 -2 C00500 5353439 17033 QBUVFDKTZJNUPP-BBROENKCSA-L HMDB01008 02/07/2014 Heme degradation bilr_355 BILR 355 C25H23N5O3 C25H23N5O3 0 3010663 01/03/2019 Drug metabolism bilr_M10 BILR M10 C31H31N5O9 C31H31N5O9 0 01/03/2019 Drug metabolism bilr_M12 BILR M12 C31H31N5O10 C31H31N5O10 0 01/03/2019 Drug metabolism bilr_M14 BILR M14 C25H23N5O4 C25H23N5O4 0 01/03/2019 Drug metabolism bilr_M15 BILR M15 C31H31N5O10 C31H31N5O10 0 01/03/2019 Drug metabolism bilr_M16 BILR M16 C31H31N5O9 C31H31N5O9 0 01/03/2019 Drug metabolism bilr_M7 BILR M7 C25H23N5O4 C25H23N5O4 0 01/03/2019 Drug metabolism biocyt Biocytin C16H28N4O4S 0 C05552 83814 27870 BAQMYDQNMFBZNA-MNXVOIDGSA-N HMDB03134 02/07/2014 Biotin metabolism biomass Produced biomass X X 0 02/07/2014 biomass_total_bt_fp Total biomass B. theta/ F. prausnitzii joint model X2 X2 0 02/07/2014 bis4cpac Bis(4-chlorophenyl)acetate C14H9O2Cl2 -1 19/09/2018 Xenobiotics metabolism bis4cpch4 Bis(4-chlorophenyl)methane C13H10Cl2 0 19/09/2018 Xenobiotics metabolism bisgsprmdn N1,N8-Bis(glutathionyl)spermidine C27H50N9O10S2 1 19/09/2018 Glutathione metabolism bla1p beta-L-Aldose 1-phosphate C6H12O9P -1 19/09/2018 Miscellaneous blarab1p beta-L-Arabinose 1-phosphate C5H9O8P C5H10O8P -1 19/09/2018 Nucleotide salvage pathway blarabsd beta-L-Arabinoside C5H9O5R 0 19/09/2018 Plant polysaccharide degradation blstcdns Blasticidin S C17H27N8O5 1 19/09/2018 Xenobiotics metabolism bnpt beta-Naphthoic acid C11H7O2 -1 19/09/2018 Xenobiotics metabolism bnzac Benzoyl acetate C9H7O3 -1 19/09/2018 Xenobiotics metabolism bnzla Hydroxymethylbenzene|Phenylcarbinol|Phenylmethanol|Benzenemethanol|alpha-Hydroxytoluene|Benzyl alcohol C7H8O 0 19/09/2018 Toluene degradation bnzlcnd Benzyl cyanide C8H7N 0 19/09/2018 Cyanoamino acid metabolism bnzlpclt Benzylpenicilloic acid C16H18N2O5S -2 19/09/2018 Xenobiotics metabolism bnzlsucc Benzylsuccinate C11H10O4 -2 19/09/2018 Xenobiotics metabolism bnzlsuccoa Benzoylsuccinyl-CoA C32H40N7O20P3S -4 19/09/2018 Toluene degradation bnzotlfmt Benzoylformate C8H5O3 -1 19/09/2018 Benzoate degradation bocbnleu N(alpha)-Benzyloxycarbonyl-L-leucine C14H18NO4 -1 19/09/2018 Xenobiotics metabolism bpcoac Biotin-[propionyl-CoA-carboxylase (ATP-hydrolysing)] C17H27N5O4R2S 0 19/09/2018 bphe23diol Biphenyl-2,3-diol C12H10O2 0 19/09/2018 Dioxin degradation bpyrzl1ylala beta-Pyrazol-1-ylalanine C6H9N3O2 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism Brfap 4-(B-D-ribofuranosyl)aminobenzene 5-phosphate C11H14NO7P -2 02/07/2014 brt Biuret C2H5N3O2 0 19/09/2018 Atrazine degradation brv Brivudine C11H13BrN2O5 C11H13BrN2O5 0 D07249 01/03/2019 Drug metabolism bsn Bosentan C27H29N5O6S C27H28N5O6S -1 104865 01/03/2019 Drug metabolism bsn_glc Bosentan Glucuronide C33H37N5O12S C33H36N5O12S -1 01/03/2019 Drug metabolism btal Butanal C4H8O 0 HMDB03543 02/07/2014 Butanoate metabolism btamp Biotinyl-5-AMP C20H27N7O9PS -1 C05921 440839 3110 UTQCSTJVMLODHM-RHCAYAJFSA-M HMDB04220 02/07/2014 Biotin metabolism btcoa Butanoyl-CoA C25H38N7O17P3S -4 C00136 265 57371 CRFNGMNYKDXRTN-BTRAQTFYSA-J HMDB01088 02/07/2014 Butanoate metabolism btd_RR R_R__2_3_Butanediol C4H10O2 0 C03044 225936 OWBTYPJTUOEWEK-QWWZWVQMSA-N HMDB0033007 02/07/2014 Butanoate metabolism btd_SS (S,S)-2,3-Butanediol C4H10O2 C4H10O2 0 02/07/2014 Butanoate metabolism btn Biotin C10H15N2O3S -1 C00120 171548 15956 YBJHBAHKTGYVGT-ZKWXMUAHSA-M HMDB00030 02/07/2014 Biotin metabolism btn_co2 Carboxybiotin-carboxyl-carrier protein C17H26N4O5SX C17H26N4O5SX -1 30/09/2014 Biotin metabolism btnam Biotin amide C10H17N3O2S 0 19/09/2018 Biotin metabolism btnso d-biotin d-sulfoxide C10H15N2O4S -1 02/07/2014 Biotin metabolism btoh butanol C4H10O 0 C06142 263 LRHPLDYGYMQRHN-UHFFFAOYSA-N HMDB04327 02/07/2014 Pyruvate metabolism bttn Bracteatin C15H10O7 0 19/09/2018 Xenobiotics metabolism bttn6og Bracteatin 6-O-glucoside C21H20O12 0 19/09/2018 Xenobiotics metabolism but Butyrate C4H7O2 -1 C00246 264 30772 FERIUCNNQQJTOY-UHFFFAOYSA-M HMDB00039 02/07/2014 Butanoate metabolism but2eACP But-2-enoyl-[acyl-carrier protein] C15H25N2O8PRS -1 02/07/2014 Fatty acid synthesis butACP Butyryl-ACP (n-C4:0ACP) C15H27N2O8PRS -1 02/07/2014 Fatty acid synthesis butam n-butylamine C4H11N C4H11N 0 C18706 25/09/2019 Valine, leucine, and isoleucine metabolism butb Butyro-betaine C8H18NO C8H19NO 1 02/07/2014 butpi Butanoyl phosphate C4H7O5P -2 C02527 02/07/2014 Butanoate metabolism butso3 butanesulfonate C4H9O3S -1 02/07/2014 Respiration bvite beta-tocopherol C28H48O2 0 C14152 6857447 47771 WGVKWNUPNGFDFJ-DQCZWYHMSA-N HMDB06335 02/07/2014 bvu (E)-5-(2-Bromovinyl)Uracil C6H5BrN2O2 C6H5BrN2O2 0 688297 01/03/2019 Drug metabolism bz benzoate C7H5O2 -1 C00180 243 30746 WPYMKLBDIGXBTP-UHFFFAOYSA-M HMDB01870 02/07/2014 Alkaloid synthesis bz_glc Benzoic Acid Glucuronide C13H14O8 C13H13O8 -1 01/03/2019 Drug metabolism bz12diol cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate C7H8O4 C7H7O4 -1 C06321 8557 18340 C1=CC(C(C=C1)(C(=O)O)O)O 02/07/2014 Benzoate degradation bzal Benzaldehyde C7H6O 0 02/07/2014 Aminobenzoate degradation bzalcnhydn Benzaldehyde cyanohydrin C8H7NO 0 19/09/2018 Aminobenzoate degradation bzam Benzamide C7H7NO C7H7NO 0 HMDB04461 02/07/2014 Aminobenzoate degradation bzcoa Benzoyl-CoA C28H40N7O17P3S C28H36N7O17P3S -4 C00512 CHEBI:15515 VEVJTUNLALKRNO-VBDPZXIHSA-J HMDB02252 12/01/2015 Benzoate degradation bzd Balsalazide C17H15N3O6 C17H13N3O6 -2 6335412 01/03/2019 Drug metabolism C01041 monodehydroascorbate(1-) C6H6O6 -1 C01041 439374 59513 LHFJOBMTAJJOTB-JLAZNSOCSA-M 02/07/2014 Eicosanoid metabolism C01241 Phosphatidyl-N-methylethanolamine C8H14NO8PR2 0 C01241 15958 02/07/2014 Glycerophospholipid metabolism C01264 1-alkyl-2-acetyl-sn-glycerol 3-phosphate(2-) C5H8O7PR -2 58191 02/07/2014 Glycerophospholipid metabolism C01290 beta-D-Galactosyl-1,4-beta-D-glucosylceramide C31H56NO13R 0 C01290 20057304 17950 KNWHKVBHCLQVFX-QXWNENIHSA-N HMDB04866 02/07/2014 Cell wall biosynthesis C01507 L-Iditol C6H14O6 0 C00392 6251 18202 FBPFZTCFMRRESA-UNTFVMJOSA-N HMDB00765 02/07/2014 Miscellaneous C01601 nonanoate C9H17O2 -1 C01601 8158 29019 FBUKVWPVBMHYJY-UHFFFAOYSA-M HMDB00847 02/07/2014 Linoleate metabolism C01747 psychosine(1+) C24H48NO7 1 C01747 22833541 16874 HHJTWTPUPVQKNA-PIIMIWFASA-O HMDB00648 02/07/2014 Glycosphingolipid metabolism C01836 Neurotensin C78H122N21O20 1 C01836 25078013 7542 PCJGZPGTCUMMOT-UHFFFAOYSA-O 02/07/2014 Miscellaneous C02147 dihydrolipoate C8H15O2S2 -1 C02147 421 18047 IZFHEQBZOYJLPK-UHFFFAOYSA-M HMDB0012210 02/07/2014 Arginine and proline metabolism C02356 (S)-2-Aminobutanoate C4H9NO2 0 C02356 80283 35619 QWCKQJZIFLGMSD-VKHMYHEASA-N HMDB00452 02/07/2014 Urea cycle C02442 N-methyltyraminium C9H14NO 1 C02442 9727 17458 AXVZFRBSCNEKPQ-UHFFFAOYSA-O HMDB03633 02/07/2014 Phenylalanine metabolism C02469 Uroporphyrin III C40H30N4O16 -8 C02469 15436 VZVFNUAIRVUCEW-UJJXFSCMSA-N HMDB00916 02/07/2014 Heme synthesis C02470 Xanthurenic acid C10H6NO4 -1 C02470 5699 217069 FBZONXHGGPHHIY-UHFFFAOYSA-M HMDB00881 02/07/2014 Tryptophan metabolism C02528 chenodeoxycholate C24H39O4 -1 C02528 10133 16755 RUDATBOHQWOJDD-BSWAIDMHSA-M HMDB00518 02/07/2014 Bile acid metabolism C02592 Taurolithocholate C26H44NO5S -1 C02592 439763 36259 HMDB00722 02/07/2014 C02712 N-Acetylmethionine C7H12NO3S -1 C02712 6180 21557 XUYPXLNMDZIRQH-LURJTMIESA-M HMDB0011745 02/07/2014 Methionine and cysteine metabolism C02744 Psychosine sulfate C24H47NO10S 0 C02744 53481594 17507 UIEYIJKBVSNMMH-PIIMIWFASA-N HMDB0013046 02/07/2014 Glycosphingolipid metabolism C03372 1-acylglycerone 3-phosphate(2-) C4H4O7PR -2 C03372 6857386 57534 IWFZHMQFZRLGDQ-UHFFFAOYSA-N HMDB0011750 02/07/2014 Glycerophospholipid metabolism C03405 Lactosylceramide sulfate X 0 C03405 02/07/2014 Glycosphingolipid metabolism C03413 N(1),N(12)-diacetylsperminium(2+) C14H32N4O2 2 C03413 132680 28101 NPDTUDWGJMBVEP-UHFFFAOYSA-P HMDB02172 02/07/2014 Urea cycle C03577 20-hydroxy-leukotriene E4(1-) C23H36NO6S -1 C03577 53481511 58584 BJRMBXPQAMDCMG-CMJQBAFXSA-M HMDB0012639 02/07/2014 Eicosanoid metabolism C03681 5alpha-Pregnane-3,20-dione C21H32O2 0 C03681 92810 28952 XMRPGKVKISIQBV-BJMCWZGWSA-N HMDB03759 02/07/2014 Miscellaneous C03682 5beta-Pregnane-11beta,17alpha,21-triol-3,20-dione C21H32O5 0 19/09/2018 Steroid metabolism C03693 D-Mannose 1,6-bisphosphate C6H10O12P2 -4 C03693 3036654 RWHOZGRAXYWRNX-RWOPYEJCSA-J 02/07/2014 Fructose and mannose metabolism C03820 1-Alkyl-2-acetyl-sn-glycerol C5H9O4R 0 C03820 16291 02/07/2014 Glycerophospholipid metabolism C03958 Thyrotropin releasing hormone C16H22N6O4 0 C03958 638678 35940 XNSAINXGIQZQOO-SRVKXCTJSA-N HMDB05763 02/07/2014 Miscellaneous C03968 1-alkyl-sn-glycerol 3-phosphate(1-) C3H6O6PR -2 58014 02/07/2014 Glycerophospholipid metabolism C03990 lithocholate C24H39O3 -1 C03990 9903 16325 HMDB00761 02/07/2014 C04295 Androst-5-ene-3beta,17beta-diol C19H30O2 0 C04295 10634 2710 QADHLRWLCPCEKT-LOVVWNRFSA-N HMDB03818 02/07/2014 Androgen and estrogen synthesis and metabolism C04308 Phosphatidyl-N-dimethylethanolamine C9H15NO8PR2 -1 C04308 52332 02/07/2014 Glycerophospholipid metabolism C04483 deoxycholate C24H39O4 -1 C04483 222528 28834 HMDB00626 02/07/2014 C04685 prostaglandin A1(1-) C20H31O4 -1 C04685 5281912 15545 HMDB02656 02/07/2014 C04717 13-L-Hydroperoxylinoleic acid C18H30O4 -1 C04717 5280720 15655 JDSRHVWSAMTSSN-IRQZEAMPSA-N HMDB03871 02/07/2014 Linoleate metabolism C04805 5(S)-HETE C20H31O3 -1 C04805 5280733 28209 KGIJOOYOSFUGPC-HSFOLRKZSA-M HMDB0011134 02/07/2014 Arachidonic acid metabolism C04843 (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate C20H33O5 -1 C04843 46878369 57448 WPLPEZUSILBTGP-UIKNIFMXSA-M 02/07/2014 Arachidonic acid metabolism C04849 (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate C20H31O4 -1 C04849 5280743 57449 SGTUOBURCVMACZ-CIQDQOFUSA-M HMDB0062619 02/07/2014 Arachidonic acid metabolism C04853 20-hydroxy-leukotriene B4(1-) C20H31O5 -1 C04853 5280745 15646 HMDB01509 02/07/2014 C05109 24,25-Dihydrolanosterol C30H52O 0 C05109 440560 28113 MBZYKEVPFYHDOH-BQNIITSRSA-N HMDB06839 02/07/2014 Cholesterol metabolism C05279 trans,cis-Lauro-2,6-dienoyl-CoA C33H50N7O17P3S -4 C05279 53480665 28387 BNPQDIKRZDRREL-GQUYLXGASA-J HMDB0011123 02/07/2014 Fatty acid oxidation C05280 cis,cis-3,6-Dodecadienoyl-CoA C33H50N7O17P3S -4 C05280 5280771 28002 KEPSPLQXVPROMK-ASJCJLDXSA-J HMDB03952 02/07/2014 Fatty acid oxidation C05284 11beta-Hydroxyandrost-4-ene-3,17-dione C19H26O3 0 C05284 94141 27967 WSCUHXPGYUMQEX-KCZNZURUSA-N HMDB06773 02/07/2014 Steroid metabolism C05298 2-Hydroxyestrone C18H22O3 0 C05298 440623 1156 SWINWPBPEKHUOD-JPVZDGGYSA-N HMDB00343 02/07/2014 Androgen and estrogen synthesis and metabolism C05299 2-Methoxyestrone C19H24O3 0 C05299 440624 1189 WHEUWNKSCXYKBU-QPWUGHHJSA-N HMDB00010 02/07/2014 Androgen and estrogen synthesis and metabolism C05300 16alpha-Hydroxyestrone C18H22O3 0 C05300 115116 776 WPOCIZJTELRQMF-QFXBJFAPSA-N HMDB00335 02/07/2014 Androgen and estrogen synthesis and metabolism C05301 2-Hydroxyestradiol-17beta C18H24O3 0 C05301 247304 28744 DILDHNKDVHLEQB-XSSYPUMDSA-N HMDB00338 02/07/2014 Androgen and estrogen synthesis and metabolism C05302 2-Methoxyestradiol-17beta C19H26O3 0 C05302 66414 28955 CQOQDQWUFQDJMK-SSTWWWIQSA-N HMDB00405 02/07/2014 Androgen and estrogen synthesis and metabolism C05463 taurodeoxycholate C26H44NO6S -1 C05463 2733768 9410 HMDB00896 02/07/2014 C05708 Selenomethionine se-oxide C5H11NO3Se 0 C05708 17754089 KGXZPWNBFWCDRF-YGVKFDHGSA-N 02/07/2014 Selenoamino acid metabolism C05767 Uroporphyrin I C40H30N4O16 -8 C05767 27484 DAFUFNRZWDWXJP-JRHDEHKPSA-F HMDB00936 02/07/2014 Heme synthesis C05769 Coproporphyrin I C36H34N4O8 -4 C05769 28421 VORBHEGMEBOMMB-JRHDEHKPSA-J HMDB00643 02/07/2014 Heme synthesis C05770 Coproporphyrin III C36H34N4O8 -4 C05770 27609 JWFCYWSMNRLXLX-UJJXFSCMSA-J HMDB00570 02/07/2014 Heme synthesis C05953 Prostaglandin A2 C20H29O4 -1 C05953 22833602 27820 HMDB02752 02/07/2014 C05957 Prostaglandin J2 C20H29O4 -1 C05957 5280884 27485 UQOQENZZLBSFKO-POPPZSFYSA-M HMDB02710 02/07/2014 Eicosanoid metabolism C05965 12(S)-HPETE(1-) C20H31O4 -1 C05965 5280892 15626 HMDB04243 02/07/2014 C06199 Hordenine C10H16NO 1 C06199 68313 5764 KUBCEEMXQZUPDQ-UHFFFAOYSA-O HMDB04366 02/07/2014 Phenylalanine metabolism C06314 Lipoxin A4 C20H31O5 -1 C06314 5280914 6498 IXAQOQZEOGMIQS-SNDKYGBFSA-M HMDB04385 02/07/2014 Arachidonic acid metabolism C06315 Lipoxin B4 C20H31O5 -1 C06315 5280915 6499 UXVRTOKOJOMENI-DXEGFZHISA-M HMDB05082 02/07/2014 Arachidonic acid metabolism C06350 (R,S)-Norlaudanosoline C16H18NO4 1 C06350 18519 28770 ABXZOXDTHTTZJW-UHFFFAOYSA-O HMDB0012486 02/07/2014 Isoquinoline alkaloid biosynthesis C06439 Prostaglandin E3 C20H29O5 -1 C06439 5280937 28031 HMDB02664 02/07/2014 C06948 Diazepam C16ClH13N2O 0 C06948 3016 49575 AAOVKJBEBIDNHE-UHFFFAOYSA-N HMDB0014967 02/07/2014 Miscellaneous C07296 4,8,12-trimethyltridecanoyl-CoA(4-) C37H62N7O17P3S -4 11966114 15495 02/07/2014 C07297 3-oxopristanoyl-CoA(4-) C40H66N7O18P3S -4 C07297 441253 15371 NQFYRDGBRBDQQG-SVFBWJQPSA-J HMDB02057 02/07/2014 Fatty acid oxidation C07486 Nordazepam C15ClH11N2O 0 C07486 2997 111762 AKPLHCDWDRPJGD-UHFFFAOYSA-N HMDB0060538 02/07/2014 Miscellaneous C07535 Benzpyrene C20H12 0 C07535 2336 29865 FMMWHPNWAFZXNH-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism C08261 Azelaic acid C9H12O4 -2 C08261 2266 48131 BDJRBEYXGGNYIS-UHFFFAOYSA-N HMDB00784 02/07/2014 Linoleate metabolism C08276 3-(methylthio)propionate C4H7O2S -1 C08276 563 1438 CAOMCZAIALVUPA-UHFFFAOYSA-M HMDB01527 02/07/2014 Miscellaneous C08281 behenate C22H43O2 -1 C08281 8215 28941 HMDB00944 02/07/2014 C09209 Harman C12H10N2 0 C09209 5281404 5623 PSFDQSOCUJVVGF-UHFFFAOYSA-N HMDB0035196 02/07/2014 Tryptophan metabolism C09640 (-)-Salsoline C11H16NO2 1 C09640 442356 761542 YTPRLBGPGZHUPD-ZETCQYMHSA-O HMDB0012469 02/07/2014 Tyrosine metabolism C09642 (-)-Salsolinol C10H14NO2 1 C09642 54456 123715 IBRKLUSXDYATLG-LURJTMIESA-O HMDB05199 02/07/2014 Tyrosine metabolism C10164 Picolinic acid C6H4NO2 -1 C10164 1018 28747 SIOXPEMLGUPBBT-UHFFFAOYSA-M HMDB02243 02/07/2014 Tryptophan metabolism c101coa decenoylcoa C31H48N7O17P3S -4 02/07/2014 Fatty acid oxidation c101crn decenoyl carnitine C17H31NO4 0 53481651 GOOOCIIXFLVRAG-UHFFFAOYSA-N HMDB13205 02/07/2014 Fatty acid oxidation c10crn decanoyl carnitine C17H33NO4 0 10245190 68830 LZOSYCMHQXPBFU-UHFFFAOYSA-N HMDB00651 02/07/2014 Fatty acid oxidation c10dc sebacoyl carnitine C17H30NO6 -1 GBFPILOKXGQZKW-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation C11304 S-(PGA1)-glutathione C30H47N3O10S -2 C11304 5281898 HXBAELAEMDXAJM-HMEXYRAGSA-L HMDB13061 02/07/2014 Eicosanoid metabolism C11695 Anandamide C22H37NO2 0 C11695 5281969 2700 LGEQQWMQCRIYKG-DOFZRALJSA-N HMDB04080 02/07/2014 Eicosanoid metabolism C11821 5-Hydroxyisourate C5H4N4O4 0 C11821 250388 18072 LTQYPAVLAYVKTK-UHFFFAOYSA-N HMDB0030097 02/07/2014 Others c12dc dodecanedioyl carnitine C19H34NO6 -1 VJPIDPQNAYWULC-INIZCTEOSA-M 02/07/2014 Fatty acid oxidation c12dccoa dodecanedioylcoa C33H51N7O19P3S -5 AWMCEAXIMVYOKU-GSZWZHFKSA-I 02/07/2014 Fatty acid oxidation C13856 2-Arachidonoylglycerol C23H38O4 0 C13856 5282280 52392 RCRCTBLIHCHWDZ-STDWFKOCSA-N HMDB04666 02/07/2014 Arachidonic acid metabolism C14768 5,6-EET C20H31O3 -1 C14768 5283202 34450 VBQNSZQZRAGRIX-LXZCUKJHSA-M HMDB02190 02/07/2014 Arachidonic acid metabolism C14769 8,9-EET C20H31O3 -1 C14769 5283203 34490 DBWQSCSXHFNTMO-TYAUOURKSA-M HMDB02232 02/07/2014 Arachidonic acid metabolism C14770 11,12-EET C20H31O3 -1 C14770 5353269 34130 DXOYQVHGIODESM-QXQNWPQMSA-M HMDB04673 02/07/2014 Arachidonic acid metabolism C14771 14,15-EET C20H31O3 -1 C14771 5283205 34157 JBSCUHKPLGKXKH-GDWIHFMBSA-M HMDB04264 02/07/2014 Arachidonic acid metabolism C14825 9(10)-EpOME C18H31O3 -1 C14825 6246154 FBUKMFOXMZRGRB-SQGUUQMOSA-M HMDB04701 02/07/2014 Fatty acid oxidation C14826 12(13)-EpOME C18H31O3 -1 C14826 5356421 38299 CCPPLLJZDQAOHD-FLIBITNWSA-M HMDB04702 02/07/2014 Linoleate metabolism C14849 Benzo[a]pyrene-9,10-oxide C20H12O 0 C14849 37456 GOEJUYABKOTLJA-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism C14851 Benzo[a]pyrene-4,5-oxide C20H12O 0 C14851 37786 XGZQLNASOQVQTD-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism c14dccoa tetradecanedioylcoa C35H55N7O19P3S -5 TVXJIGZINAEEEG-XIOMLZLPSA-I 02/07/2014 Fatty acid oxidation c16dc Hexadecanedioic acid mono-L-carnitine ester C23H42NO6 -1 566787 UNHCPLSWMNPZTD-UHFFFAOYSA-M HMDB00712 02/07/2014 Fatty acid oxidation c190cACP 19 carbon cyclopropane-ACP C30H55N2O8PRS -1 17/07/2015 c226coa cervonyl coenzyme A C43H62N7O17P3S -4 C16169 MENFZXMQSYYVRK-CRCGJGBYSA-J 02/07/2014 Fatty acid oxidation c226crn cervonyl carnitine C29H45NO4 0 WLLMYDQRCSWAST-BUHCESQUSA-N HMDB06510 02/07/2014 Fatty acid oxidation c23bpglcrt Cyclic 2,3-bisphospho-D-glycerate C3H3O9P2 -3 19/09/2018 Miscellaneous c2chdlac cis-2-Chlorodienelactone C6H2O4Cl -1 19/09/2018 Xenobiotics metabolism c2m26dcoa cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H46N7O17P3S -4 C11946 53477855 MPYXOYHSKAAPLW-NXIRUBHOSA-J HMDB06540 02/07/2014 Limonene and pinene degradation c34leucplargn cis-3,4-Leucopelargonidin C15H14O6 C15H14O6 0 C03648 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism c3dc malonyl carnitine C10H16NO6 -1 22833583 ZGNBLKBZJBJFDG-ZETCQYMHSA-M HMDB02095 02/07/2014 Fatty acid oxidation c3rsd5bgsd Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside C33H39O20 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism c3rslg Cyanidin 3-O-rhamnosylglucoside C27H29O15 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism c4crn butyryl carnitine C11H21NO4 0 C02862 439829 7676 QWYFHHGCZUCMBN-UHFFFAOYSA-N HMDB02013 02/07/2014 Fatty acid oxidation c4dc succinyl carnitine C11H18NO6 -1 HAEVNYBCYZZDFL-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation c51crn tiglyl carnitine C12H21NO4 0 22833596 WURBQCVBQNMUQT-RMKNXTFCSA-N HMDB02366 02/07/2014 Fatty acid oxidation c5dc glutaryl carnitine C12H21NO6 0 53481622 NXJAXUYOQLTISD-VIFPVBQESA-N HMDB13130 02/07/2014 Fatty acid oxidation c6crn hexanoyl carnitine C13H25NO4 0 6426853 70749 VVPRQWTYSNDTEA-UHFFFAOYSA-N HMDB00705 02/07/2014 Fatty acid oxidation c6dc adipoyl carnitine C13H22NO6 -1 71296139 BSVHAXJKBCWVDA-UHFFFAOYSA-M HMDB0061677 02/07/2014 Fatty acid oxidation c81coa octenoylcoa C29H44N7O17P3S -4 C05276 5280769 27537 CPSDNAXXKWVYIY-NTLMCJQISA-J HMDB03949 02/07/2014 Fatty acid oxidation c81crn octenoyl carnitine C15H27NO4 0 53481667 YMIVWYONPRZBEJ-LXKVQUBZSA-N HMDB0013324 02/07/2014 Fatty acid oxidation c8crn octanoyl carnitine C15H29NO4 0 C02838 11953814 18102 CXTATJFJDMJMIY-CYBMUJFWSA-N HMDB00791 02/07/2014 Fatty acid oxidation c8dc suberyl carnitine C15H26NO6 -1 YVWVEIPYMGBQPE-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation ca2 calcium(2+) Ca 2 C00076 271 29108 BHPQYMZQTOCNFJ-UHFFFAOYSA-N HMDB00464 02/07/2014 ca24g Cholic acid-24glucuronide, CA-24G C30H47O11 -1 03/01/2017 Bile acid synthesis ca3s Cholic acid 3-sulfate C24H38O8S -2 03/01/2017 Bile acid synthesis caflcoa Caffeoyl-CoA C30H38N7O19P3S C30H39N7O19P3S -3 19/09/2018 Caffeine metabolism cala N-carbamoyl-beta-alaninate C4H7N2O3 -1 C02642 111 18261 JSJWCHRYRHKBBW-UHFFFAOYSA-M HMDB00026 02/07/2014 Pyrimidine catabolism camp 3,5-cyclic AMP(1-) C10H11N5O6P -1 C00575 6076 17489 IVOMOUWHDPKRLL-KQYNXXCUSA-M HMDB00058 02/07/2014 Nucleotide interconversion caproic Caproic Acid C6H11O2 -1 FUZZWVXGSFPDMH-UHFFFAOYSA-M HMDB0061883 03/01/2017 Fatty acid oxidation caribup_R R-carboxy ibuprofen C13H16O4 C13H14O4 -2 HMDB0060564 02/07/2014 Drug metabolism caribup_s S-carboxy ibuprofen C13H16O4 C13H14O4 -2 HMDB0060564 02/07/2014 Drug metabolism caribupglu_S S-carboxy ibuprofen glucuronide C19H24O10 C19H22O10 -2 02/07/2014 Drug metabolism carn carnosine C9H14N4O3 0 C00386 439224 15727 CQOVPNPJLQNMDC-ZETCQYMHSA-N HMDB00033 02/07/2014 Beta-alanine metabolism caro beta-carotene C40H56 0 C02094 5280489 17579 OENHQHLEOONYIE-JLTXGRSLSA-N HMDB00561 02/07/2014 Vitamin A metabolism carorn N5__L_1_carboxyethyl__L_ornithine C8H16N2O4 0 02/07/2014 cartnl Cycloartenol C30H50O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism carveol (-)-trans-carveol C10H16O 0 C00964 94221 15389 BAVONGHXFVOKBV-ZJUUUORDSA-N HMDB03450 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism catechol Catechol C6H6O2 C6H5O2 -1 C00090 289 18135 YCIMNLLNPGFGHC-UHFFFAOYSA-N Oc1ccccc1O HMDB00957 02/07/2014 Benzoate degradation cbasp N-Carbamoyl-L-aspartate C5H6N2O5 -2 C00438 93072 15859 HLKXYZVTANABHZ-REOHCLBHSA-L HMDB00828 02/07/2014 Alanine and aspartate metabolism cbi Cobinamide C48H72CoN11O8 0 HMDB06902 02/07/2014 Vitamin B12 metabolism cbl3 Vitamin B12, Cobalamin (III) C62H89CoN13O14P C62H94CoN13O14P 5 02/07/2014 cbmn Columbamine C20H20NO4 C20H20NO4 1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cbmt Carbamate CH3NO2 CH2NO2 -1 HMDB03551 02/07/2014 Nitrogen metabolism cbp Carbamoyl phosphate CH2NO5P -2 C00169 278 17672 FFQKYPRQEYGKAF-UHFFFAOYSA-L HMDB01096 02/07/2014 Arginine and proline metabolism cbxlt Carboxylic acid CO2R CO2R -1 19/09/2018 cbz Carbamazepine C15H12N2O C15H12N2O 0 C06868 2554 01/03/2019 Drug metabolism cbz_glc Carbamazepine Glucuronide C21H20N2O7 C21H19N2O7 -1 83870 01/03/2019 Drug metabolism cbzl Carbazole C12H9N 0 19/09/2018 Xenobiotics metabolism cca_d3 Calcitroic Acid (D3) C23H33O4 -1 C18230 CHNOGDFCSAPBGJ-HEZXVCCISA-M 02/07/2014 Vitamin D metabolism cclrn Coclaurine C17H19NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis ccmuac cis,cis-Muconate C6H6O4 C6H4O4 -2 C02480 5280518 16508 TXXHDPDFNKHHGW-CCAGOZQPSA-N OC(=O)\C=C/C=C\C(O)=O HMDB06331 02/07/2014 Benzoate degradation cd2 Cadmium Cd 2 HMDB03638 02/07/2014 cd6168 CD6168 C34H35BrN6O3 C34H34BrN6O3 -1 01/03/2019 Drug metabolism cd6168_glc CD6168 Glucuronide C40H43BrN6O9 C40H43BrN6O9 0 01/03/2019 Drug metabolism cdca24g Chenodeoxycholic acid-24glucuronide, CDCA-24G C30H47O10 -1 03/01/2017 Bile acid synthesis cdca3g Chenodeoxycholic acid-3glucuronide, CDCA-3G C30H47O10 -1 03/01/2017 Bile acid synthesis cddec5eACP cis-dodec-5-enoyl-[acyl-carrier protein] (n-C12:1) C23H41N2O8PRS -1 02/07/2014 Fatty acid synthesis cdec3eACP cis-dec-3-enoyl-[acyl-carrier protein] (n-C10:1) C21H37N2O8PRS -1 02/07/2014 Fatty acid synthesis cdgggp CDP-2,3-digeranylgeranyl-sn-glycerol C52H83N3O13P2 C52H83N3O13P2 -2 13/05/2020 Glycerophospholipid metabolism cdhdhhmnp cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene C11H12O3 0 19/09/2018 Xenobiotics metabolism cdhectcl cis-1,2-Dihydro-3-ethylcatechol C8H12O2 0 19/09/2018 Xenobiotics metabolism cdhxft Cyclic dehypoxanthine futalosine C14H14O7 C14H13O7 -1 C17017 96023498 64270 OC1O[C@@]2(CCC(=O)c3cc(ccc23)C([O-])=O)[C@@H](O)[C@H]1O 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis cdp CDP C9H12N3O11P2 -3 C00112 6132 17239 ZWIADYZPOWUWEW-XVFCMESISA-K HMDB01546 02/07/2014 Cholesterol metabolism cdp36ddoglu CDP-3,6-dideoxy-D-glucose C15H23N3O14P2 -2 19/09/2018 Nucleotide sugar metabolism cdp36ddoman CDP-3,6-dideoxy-D-mannose C15H23N3O14P2 -2 19/09/2018 Nucleotide sugar metabolism cdp4dh36ddglc CDP-4-dehydro-3-6-dideoxy-D-glucose C15H21N3O14P2 -2 02/07/2014 Aminosugar metabolism cdp4dh6doglc CDP-4-dehydro-6-deoxy-D-glucose C15H21N3O15P2 0 02/07/2014 Aminosugar metabolism cdpabeq CDP-abequose C15H23N3O14P2 0 02/07/2014 Aminosugar metabolism cdpchol CDPcholine C14H25N4O11P2 -1 C00307 13804 16436 RZZPDXZPRHQOCG-OJAKKHQRSA-M HMDB01413 02/07/2014 Glycerophospholipid metabolism cdpdag_HP CDP-Diacylglycerol Hp specific C45H79N3O15P2 -2 17/07/2015 cdpdag_hs CDP-diacylglycerol(2-) C12H17N3O11P2FULLRCO2FULLR2CO2 -2 58332 02/07/2014 Glycerophospholipid metabolism cdpdag_LLA CDPdiacylglycerol__lactis_specific C4620H8098N300O1500P200 0 02/07/2014 cdpdag_LPL CDPdiacylglycerol__LPL_specific_ X 0 02/07/2014 cdpdaihpdecg CDP-1,2-dianteisoheptadecanoylglycerol (14-methyl-hexadecanoyl, anteiso-C17) C46H83N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdaipdecg CDP-1,2-dianteisopentadecanoylglycerol (12-methyl-tetradecanoyl, anteiso-C15) C42H75N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdddecg CDP-1,2-didodecanoylglycerol C36H63N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpddg CDP-4-dehydro-6-deoxy-D-glucose C15H21N3O15P2 -2 02/07/2014 Aminosugar metabolism cdpdhdec9eg CDP-1,2-dihexadec-9-enoylglycerol C44H75N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdhdecg CDP-1,2-dihexadecanoylglycerol C44H79N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdihdecg CDP-1,2-diisohexadecanoylglycerol (14-methyl-pentadecanoyl, iso-C16) C44H79N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdihpdecg CDP-1,2-diisoheptadecanoylglycerol (15-methyl-hexadecanoyl, iso-C17) C46H83N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdipdecg CDP-1,2-diisopentadecanoylglycerol (13-methyl-tetradecanoyl, iso-C15) C42H75N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpditdecg CDP-1,2-diisotetradecanoylglycerol (12-methyl-tridecanoyl, iso-C14) C40H71N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdodec11eg CDP-1,2-dioctadec-11-enoylglycerol C48H83N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdodecg CDP-1,2-dioctadecanoylglycerol C48H87N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdtdec7eg CDP-1,2-ditetradec-7-enoylglycerol C40H67N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpdtdecg CDP-1,2-ditetradecanoylglycerol C40H71N3O15P2 -2 02/07/2014 Glycerophospholipid metabolism cdpea CDP-ethanolamine(1-) C11H19N4O11P2 -1 C00570 123727 16732 WVIMUEUQJFPNDK-PEBGCTIMSA-M HMDB01564 02/07/2014 Cell wall biosynthesis cdpglc CDPglucose C15H23N3O16P2 -2 C00501 439244 CGPHZDRCVSLMCF-JZMIEXBBSA-N HMDB03369 02/07/2014 Aminosugar metabolism cdpglyc CDPglycerol C12H19N3O13P2 -2 02/07/2014 Cell wall biosynthesis cdpmohamn CDP-N-methylethanolamine C12H21N4O11P2 C12H21N4O11P2 -1 19/09/2018 Glycerophospholipid metabolism cdprbtl CDPribitol X 0 02/07/2014 CE0074 Alloxan C4N2O4 -2 C07599 5781 730073 HIMXGTXNXJYFGB-UHFFFAOYSA-L HMDB02818 02/07/2014 Purine catabolism CE0233 5beta-cholestane-3alpha,7alpha,27-triol C27H48O3 0 UROPIWALBBMYRP-CVWSJRAXSA-N 02/07/2014 Bile acid synthesis CE0328 docosahexaenoate C22H31O2 -1 C06429 3144 28125 HMDB02183 02/07/2014 CE0347 12-hydroxyeicosatetraenoate C20H31O3 -1 5312983 ZNHVWPKMFKADKW-FUOBAMOMSA-M HMDB06111 02/07/2014 Arachidonic acid metabolism CE0469 gama-L-glutamyl-L-alanine C8H13N2O5 -1 11183554 WQXXXVRAFAKQJM-CRCLSJGQSA-M 02/07/2014 Alanine and aspartate metabolism CE0692 3-oxolaur-cis-5-enoyl-CoA C33H50N7O18P3S -4 VKLHSLOWDWGVGP-HTMDDOFJSA-J 02/07/2014 Fatty acid oxidation CE0693 3-oxolaur-6-cis-enoyl-CoA C33H50N7O18P3S -4 QERQHDHPFGSFJE-NTEQCNOVSA-J 02/07/2014 Fatty acid oxidation CE0695 cis-laur-5-enoyl-CoA C33H52N7O17P3S -4 RCVJZGBRLGUTKT-GMHMEAMDSA-J 02/07/2014 Fatty acid oxidation CE0713 3-oxolinoleoyl-CoA C39H60N7O18P3S -4 XROJENOQBXZHJA-OUXAGQEVSA-J 02/07/2014 Fatty acid oxidation CE0737 malonic dialdehyde C3H3O2 -1 C19440 10964 566274 QWKKIZCNXSQQRD-UHFFFAOYSA-N HMDB06112 02/07/2014 Eicosanoid metabolism CE0782 3-oxomyrist-7-enoyl-CoA C35H54N7O18P3S -4 BEPLLRGJVXAEJI-FQGPXWSMSA-J 02/07/2014 Fatty acid oxidation CE0784 cis-myrist-7-enoyl-CoA C35H56N7O17P3S -4 JPIHVKICKVPFFY-CFNUXZCISA-J 02/07/2014 Fatty acid oxidation CE0785 cis,cis-myristo-5,8-dienoyl-CoA C35H54N7O17P3S -4 21252281 MJBZUCVXTFUVFY-MURFETPASA-J HMDB02288 02/07/2014 Fatty acid oxidation CE0849 cis,cis-palmito-7,10-dienoyl-CoA C37H58N7O17P3S -4 OKKMIEAMIHILAM-ULEVOUIXSA-J 02/07/2014 Fatty acid oxidation CE0852 palmitoleyl-CoA(4-) C37H60N7O17P3S -4 61540 02/07/2014 CE0853 3-oxopalmitoleoyl-CoA C37H58N7O18P3S -4 C05259 440601 15491 JDNARGYWMLYADA-HQCBLXLFSA-J HMDB06402 02/07/2014 Fatty acid oxidation CE0932 pristanate C19H37O2 -1 20849056 02/07/2014 CE0955 6-oxo-prostaglandin F1alpha C20H33O6 -1 C05961 5280888 28158 KFGOFTHODYBSGM-ZUNNJUQCSA-M HMDB02886 02/07/2014 Eicosanoid metabolism CE1059 N1,N8-diacetylspermidine C11H24N3O2 1 44237220 BKCVMAZDKFQPHB-UHFFFAOYSA-O HMDB0041947 02/07/2014 Urea cycle CE1102 cis-(3S)-hydroxytetradec-7-enoyl-CoA C35H56N7O18P3S -4 WGCARZJTIJIWSL-LFOAIQFDSA-J 02/07/2014 Fatty acid oxidation CE1162 vitamin A2 C20H28O 0 6436043 1260188 XWCYDHJOKKGVHC-OVSJKPMPSA-N HMDB0013117 02/07/2014 Vitamin A metabolism CE1243 (12S)-12-hydroxyheptadeca-5,8,10-trienoic acid (12S-HHT) C17H26O3 -1 182416 63977 KUKJHGXXZWHSBG-INIZCTEOSA-N HMDB12535 02/07/2014 Eicosanoid metabolism CE1261 5-S-cysteinyldopa C12H16N2O6S 0 C17935 10663203 SXISMOAILJWTID-RQJHMYQMSA-N 02/07/2014 Miscellaneous CE1262 5-(S-L-cysteinyl)-dopaquinone C12H14N2O6S 0 HOKJXHGZPDVBLS-RQJHMYQMSA-N 02/07/2014 Miscellaneous CE1264 Benzothiazine C8H7NS 0 46899 FBOSKQVOIHEWAX-UHFFFAOYSA-N 02/07/2014 Miscellaneous CE1272 5beta-cholestane-3alpha,7alpha,12alpha,25-tetrol C27H48O4 0 53477712 NTIXPPFPXLYJCT-OEHUKZNASA-N HMDB00655 02/07/2014 Bile acid synthesis CE1273 5beta-cholestane-3alpha,7alpha,12alpha,24S,25-pentol C27H48O5 0 6453659 NHPWQASMMFUHIZ-YBMOUMCLSA-N HMDB02208 02/07/2014 Bile acid synthesis CE1274 3alpha,7alpha,12alpha,25-tetrahydroxy-5beta-cholestane-24-one C27H46O5 0 CFVCOEMVLNMDAX-CTICLBNJSA-N 02/07/2014 Bile acid synthesis CE1277 5beta-cholestane-3alpha,7alpha,12alpha,23,25-pentol C27H48O5 0 5284212 OXSBBBPDYVCAKC-YJALMVNXSA-N 02/07/2014 Bile acid synthesis CE1278 5beta-cholestane-3alpha,7alpha,12alpha,25,27-pentol C27H48O5 0 5284194 XZDHXPDYLPEFQI-FIMPYCPFSA-N HMDB02180 02/07/2014 Bile acid synthesis CE1279 5beta-cholestane-3alpha,7alpha,12alpha,24R,25-pentol C27H48O5 0 21252253 NHPWQASMMFUHIZ-LBIOBXQNSA-N HMDB00556 02/07/2014 Bile acid synthesis CE1292 3beta-hydroxy-5-cholestene-27-oate C27H43O3 -1 WVXOMPRLWLXFAP-JKJRJEEJSA-M 02/07/2014 Bile acid synthesis CE1293 27alpha-hydroxy-7-dehydrocholesterol C27H44O2 0 GNWMMBWMZLEFJT-KXVNWASDSA-N 02/07/2014 Cholesterol metabolism CE1294 27alpha-hydroxy-8-dehydrocholesterol C27H44O2 0 WGJXMUYDCGMVJH-JFWFRRLVSA-N 02/07/2014 Miscellaneous CE1297 8-dehydrocholesterol C27H44O 0 129846 VUKORTMHZDZZFR-BXAZICILSA-N HMDB02027 02/07/2014 Miscellaneous CE1298 3beta-hydroxy-5-cholestenal C27H44O2 0 JUGXQEJPWDYOJV-ALJHFPOSSA-N 02/07/2014 Bile acid synthesis CE1310 N-acetyl-L-cysteine C5H8NO3S -1 C06809 12035 28939 PWKSKIMOESPYIA-BYPYZUCNSA-M HMDB01890 02/07/2014 Methionine and cysteine metabolism CE1352 17alpha-hydroxypregnenolone sulfate C21H31O6S -1 152971 OMOKWYAQVYBHMG-UAOVNUQGSA-M HMDB00416 02/07/2014 Steroid metabolism CE1401 homocysteine thiolactone C4H8NOS 1 134505 60315 KIWQWJKWBHZMDT-VKHMYHEASA-O HMDB02287 02/07/2014 Methionine and cysteine metabolism CE1447 11-dehydrothromboxane B2 C20H31O6 -1 C05964 440862 28667 KJYIVXDPWBUJBQ-YXZVYGOHSA-M HMDB04242 02/07/2014 Eicosanoid metabolism CE1554 N-acetyl-L-alanine C5H8NO3 -1 132213 40992 KTHDTJVBEPMMGL-VKHMYHEASA-M HMDB00766 02/07/2014 Alanine and aspartate metabolism CE1556 N-acetyl-L-asparagine C6H9N2O4 -1 99715 HXFOXFJUNFFYMO-BYPYZUCNSA-M HMDB06028 02/07/2014 Urea cycle CE1562 5,6-indolequinone-2-carboxylate C9H4NO4 -1 C17938 FXURFKFOPCZEKG-UHFFFAOYSA-M 02/07/2014 Tyrosine metabolism CE1589 deoxycholoyl-CoA C45H70N7O19P3S -4 C15560 24820763 50111 YTGXPYMXYISPEB-SIQRDODDSA-J 02/07/2014 Bile acid synthesis CE1617 9-cis-retinoate C20H27O2 -1 C15493 449171 50648 SHGAZHPCJJPHSC-PLQOLGFUSA-M HMDB02369 02/07/2014 Vitamin A metabolism CE1661 gama-L-glutamyl-L-alpha-aminobutyrate C9H15N2O5 -1 FUZOZPRKGAXGOB-PHDIDXHHSA-M 02/07/2014 Urea cycle CE1665 gama-glutamylglutathione C15H22N4O9S -2 OGLXGJROORSDLD-IWSPIJDZSA-L 02/07/2014 Urea cycle CE1761 4-hydroxyvitamin A1 C20H30O2 0 4363341 IOELQUUUYMBPSA-UHFFFAOYSA-N 02/07/2014 Vitamin A metabolism CE1787 1-deoxy-1-(N6-lysino)-D-fructose C12H25N2O7 1 BFSYFTQDGRDJNV-SNXWAXQRSA-O 02/07/2014 Fructose and mannose metabolism CE1918 5-hydroxytryptophol C10H11NO2 0 9061 KQROHCSYOGBQGJ-UHFFFAOYSA-N HMDB01855 02/07/2014 Tryptophan metabolism CE1924 (+)-gama-tocopherol C28H48O2 0 02/07/2014 CE1925 3-carboxy-alpha-chromanol C16H21O4 -1 9943542 626842 AXODOWFEFKOVSH-UHFFFAOYSA-M HMDB01518 02/07/2014 Miscellaneous CE1926 gama-carboxyethyl-hydroxychroman C15H19O4 -1 133098 VMJQLPNCUPGMNQ-UHFFFAOYSA-M 02/07/2014 Miscellaneous CE1935 spermine monoaldehyde C10H26N3O 3 ADZORAWYLNDBGZ-UHFFFAOYSA-Q 02/07/2014 Urea cycle CE1936 spermine dialdehyde C10H22N2O2 2 217390 WPBJCXUUUSDQJO-UHFFFAOYSA-P HMDB13076 02/07/2014 Urea cycle CE1937 spermic acid 1 C10H25N3O2 2 125245 JQNGEJIUZQDHIS-UHFFFAOYSA-P 02/07/2014 Urea cycle CE1939 spermidine monoaldehyde 1 C7H18N2O 2 145925 MMMHAACFRAVQHI-UHFFFAOYSA-P 02/07/2014 Urea cycle CE1940 spermidine monoaldehyde 2 C7H18N2O 2 19913541 51824 JNZUMEMWAPJNLC-UHFFFAOYSA-P HMDB12135 02/07/2014 Urea cycle CE1941 isoputreanine C7H17N2O2 1 171763 JUBNBYBUFCFLHB-UHFFFAOYSA-O HMDB06009 02/07/2014 Urea cycle CE1943 spermidine dialdehyde C7H14NO2 1 IBZBSVBGQKDOOV-UHFFFAOYSA-O 02/07/2014 Urea cycle CE1944 1-pyrrolinium C4H8N 1 C15668 79803 19092 ZVJHJDDKYZXRJI-UHFFFAOYSA-O HMDB0012497 02/07/2014 Urea cycle CE1950 cyanosulfurous acid anion CH2NO2S 0 QYFNKYSGTDITHU-UHFFFAOYSA-N HMDB0012916 02/07/2014 Miscellaneous CE1957 4-hydroxy-3-nitrophenylacetate C8H5NO5 -2 447364 546274 QBHBHOSRLDPIHG-UHFFFAOYSA-L 02/07/2014 Tyrosine metabolism CE2006 4-hydroxy-2-nonenal C9H16O2 0 5283344 32585 JVJFIQYAHPMBBX-UHFFFAOYSA-N HMDB04362 02/07/2014 Linoleate metabolism CE2011 hypothiocyanite CHNOS 0 124985 ZCZCOXLLICTZAH-UHFFFAOYSA-N HMDB0012974 02/07/2014 Miscellaneous CE2020 N-arachidonoylglycinate C22H34NO3 -1 40486877 59002 YLEARPUNMCCKMP-DOFZRALJSA-M HMDB0062617 02/07/2014 Glycine, serine, alanine, and threonine metabolism CE2026 3-methylcrotonoylglycine C7H10NO3 -1 169485 68499 PFWQSHXPNKRLIV-UHFFFAOYSA-M HMDB00459 02/07/2014 Glycine, serine, alanine, and threonine metabolism CE2028 3-Hydroxyisovaleric acid C5H8O3 -1 69362 37084 AXFYFNCPONWUHW-UHFFFAOYSA-N HMDB00754 02/07/2014 Valine, leucine, and isoleucine metabolism CE2038 trans-2,3-dehydropristanoyl-CoA C40H66N7O17P3S -4 56927963 63803 WLOASZHRLIOYIA-TXRROMTDSA-J 02/07/2014 Fatty acid oxidation CE2047 9,10-hydroxyoctadec-12(Z)-enoate C18H33O4 -1 C14828 9966640 XEBKSQSGNGRGDW-YFHOEESVSA-M HMDB04704 02/07/2014 Linoleate metabolism CE2049 12,13-hydroxyoctadec-9(Z)-enoate C18H33O4 -1 C14829 10236635 CQSLTKIXAJTQGA-FLIBITNWSA-M HMDB04705 02/07/2014 Linoleate metabolism CE2053 20-oxo-leukotriene B4 C20H29O5 -1 3081088 63979 LVLQYGYNBVIONY-NMDIHKAGSA-M HMDB12641 02/07/2014 Eicosanoid metabolism CE2054 20-carboxy-leukotriene-B4 C20H28O6 -2 02/07/2014 CE2056 20-dihydroxyleukotriene B4 C20H31O6 -1 53481509 ZZSBUQYGAPWEOJ-OVHHSNGPSA-M HMDB12635 02/07/2014 Eicosanoid metabolism CE2061 trans-4,5-epoxy-2(E)-decenal C10H16O2 0 526708 HIOMEXREAUSUBP-FNORWQNLSA-N HMDB13105 02/07/2014 Linoleate metabolism CE2065 acetylcarnosine C11H15N4O4 -1 10221026 BKAYIFDRRZZKNF-SECBINFHSA-M HMDB12881 02/07/2014 Histidine metabolism CE2072 putreanine C7H17N2O2 1 53477800 BTSHXVLJDRJCMM-UHFFFAOYSA-O HMDB06078 02/07/2014 Urea cycle CE2084 5-oxo-(6E,8Z,11Z,14Z)-eicosatetraenoic acid C20H29O3 -1 1831 MEASLHGILYBXFO-UHFFFAOYSA-M 02/07/2014 Arachidonic acid metabolism CE2088 N-acetyl-S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine C11H13N3O5S -2 ODJTWSKDMRCRTN-VEDVMXKPSA-L 02/07/2014 Histidine metabolism CE2089 S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine C9H12N3O4S -1 ABJUPPXFQYZWTK-FOUAAFFMSA-M 02/07/2014 Histidine metabolism CE2095 3-hydroxykynurenine-O-beta-D-glucoside C16H22N2O9 0 SYBDIVKHFDAAJV-RBDCUATOSA-N 02/07/2014 Tryptophan metabolism CE2102 lipoyllysine C14H26N2O3S2 0 53481572 COTIXRRJLCSLLS-PIJUOVFKSA-N HMDB0012996 02/07/2014 Lipoate metabolism CE2119 cyclic 3-hydroxymelatonin C13H16N2O3 0 VADOSKJWFKUPQF-UHFFFAOYSA-N 02/07/2014 Tryptophan metabolism CE2120 6-Hydroxymelatonin-Sulfate X 0 TXSYIENJFACIJX-UHFFFAOYSA-L 03/01/2017 CE2122 methyl indole-3-acetate C11H11NO2 0 74706 KTHADMDGDNYQRX-UHFFFAOYSA-N HMDB0029738 02/07/2014 Tryptophan metabolism CE2152 1,2,3,4-tetrahydro-beta-carboline C11H13N2 1 107838 100417 CFTOTSJVQRFXOF-UHFFFAOYSA-O HMDB12488 02/07/2014 Tryptophan metabolism CE2153 6-hydroxy-1,2,3,4-tetrahydro-beta-carboline C11H13N2O 1 159959 69060 HASNCBJLQYTILW-UHFFFAOYSA-O 02/07/2014 Tryptophan metabolism CE2172 6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline C9H12NO2 1 36937 110006 MBFUSGLXKQWVDW-UHFFFAOYSA-O HMDB06044 02/07/2014 Tyrosine metabolism CE2173 N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline C10H13NO3 0 157875 PIJDIPDQQMXWEM-UHFFFAOYSA-N HMDB0060065 02/07/2014 Tyrosine metabolism CE2174 4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline C9H12NO3 1 3016280 RNIMUEXSLJYHIE-UHFFFAOYSA-O 02/07/2014 Tyrosine metabolism CE2176 3-O-methyldopa C10H13NO4 0 1670 PFDUUKDQEHURQC-UHFFFAOYSA-N HMDB01434 02/07/2014 Tyrosine metabolism CE2179 4-hydroxy-17beta-estradiol C18H24O3 0 C14209 44348689 62845 HMDB05896 02/07/2014 CE2180 4-hydroxyestrone C18H22O3 0 53477797 XQZVQQZZOVBNLU-KQWCVQSUSA-N HMDB05895 02/07/2014 Androgen and estrogen synthesis and metabolism CE2183 2-hydroxy-3-methoxy-17beta-estradiol C19H26O3 0 MMKYSUOJWFKECQ-WRWXEFHESA-N 02/07/2014 Androgen and estrogen synthesis and metabolism CE2184 2-hydroxy-3-methoxyestrone C19H24O3 0 53480676 YBCPNMOFBUWYTP-ACOLZQMSSA-N HMDB0011195 02/07/2014 Androgen and estrogen synthesis and metabolism CE2186 4-methoxy-17beta-estradiol C19H26O3 0 C05302 53481522 28955 BCWZIZLVBYHFES-BHFCKAAKSA-N HMDB0012782 02/07/2014 Androgen and estrogen synthesis and metabolism CE2189 4-methoxyestrone C19H24O3 0 194066 PUEXVLNGOBYUEW-BFDPJXHCSA-N 02/07/2014 Androgen and estrogen synthesis and metabolism CE2196 (R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline C11H16NO2 1 53481438 AASFZUCQPYZSBW-SSDOTTSWSA-O HMDB12484 02/07/2014 Tyrosine metabolism CE2201 23S,25-dihydroxyvitamin D3 C27H44O3 0 13072270 47214 JVBPQHSRTHJMLM-IPPNCLEESA-N HMDB06720 02/07/2014 Vitamin D metabolism CE2202 23S,25,26-trihydroxyvitamin D3 C27H44O4 0 17756748 47803 GDIBDBUYVICGLY-VVFBGWIOSA-N 02/07/2014 Vitamin D metabolism CE2203 25-hydroxyvitamin D3-26,23-lactol C27H42O4 0 SFOPTSUKUQDFIB-RFGRQNGBSA-N 02/07/2014 Vitamin D metabolism CE2204 25-hydroxyvitamin D3-26,23-lactone C27H40O4 0 IJNDMZIDDKVXHR-IBHSMSMOSA-N 02/07/2014 Vitamin D metabolism CE2206 24-oxo-1alpha,25-dihydroxyvitamin D3 C27H42O4 0 5283703 47812 BWFQMABKLLTETH-YGQRWWDYSA-N 02/07/2014 Vitamin D metabolism CE2207 24-oxo-1alpha,23,25-trihydroxyvitamin D3 C27H42O5 0 10478755 47813 ARRIBDAUGOLZSJ-QEEPAQDXSA-N 02/07/2014 Vitamin D metabolism CE2209 5alpha-androstane-3alpha,17beta-diol C19H32O2 0 15818 36713 CBMYJHIOYJEBSB-KHOSGYARSA-N HMDB00554 02/07/2014 Androgen and estrogen synthesis and metabolism CE2211 allopregnanolone C21H34O2 0 C13712 92786 50169 AURFZBICLPNKBZ-SYBPFIFISA-N HMDB01449 02/07/2014 Miscellaneous CE2242 trans-docos-2-enoyl-CoA C43H72N7O17P3S -4 KRTIFNFQCJTGMV-ULDZQISASA-J 02/07/2014 Fatty acid synthesis CE2243 trans-eicos-2-enoyl-CoA C41H68N7O17P3S -4 ROOFWBIMBMJYGA-XTSUOFIPSA-J 02/07/2014 Fatty acid synthesis CE2245 trans-tetracos-2-enoyl-CoA C45H76N7O17P3S -4 UVJKZCSQLMWPMV-BWKDRKIHSA-J 02/07/2014 Fatty acid synthesis CE2246 3-hydroxydocosanoyl-CoA C43H74N7O18P3S -4 25229586 52325 VNJQSRVXTRJVAZ-VFEFGGRMSA-J 02/07/2014 Fatty acid synthesis CE2247 3-hydroxyeicosanoyl-CoA C41H70N7O18P3S -4 25229587 52324 KNSVYMFEJLUJST-JGMKGAMOSA-J 02/07/2014 Fatty acid synthesis CE2248 3-hydroxyoctadecanoyl-CoA C39H66N7O18P3S -4 C16217 24906329 50583 WZMAIEGYXCOYSH-FWBOWLIOSA-J HMDB12715 02/07/2014 Fatty acid metabolism CE2249 3-hydroxytetracosanoyl-CoA C45H78N7O18P3S -4 25229585 52326 QIBKBVRVOFIKLN-SBQSWANMSA-J 02/07/2014 Fatty acid synthesis CE2250 3-oxodocosanoyl-CoA C43H72N7O18P3S -4 25229584 52328 RKCOGGUHKPTOQJ-DZMJXSBZSA-J 02/07/2014 Fatty acid synthesis CE2251 3-oxoeicosanoyl-CoA C41H68N7O18P3S -4 25229571 52327 FYBVHNZJDVUVLJ-GXYUEDDASA-J 02/07/2014 Fatty acid synthesis CE2253 3-oxotetracosanoyl-CoA C45H76N7O18P3S -4 25229583 52329 JJSJTIWFKNSCHC-YOUZJQHUSA-J 02/07/2014 Fatty acid synthesis CE2257 tetracosanoyl-CoA C45H78N7O17P3S -4 C16529 3082227 52974 HMDB06526 02/07/2014 CE2303 9-hydroxy-10-O-D-glucuronoside-12Z-octadecenoate C24H40O10 -2 OERHNMHLKBHOMH-DETUFGJMSA-L 02/07/2014 Linoleate metabolism CE2304 10-hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide C24H40O10 -2 IRADJQUIAYBZPY-GLAAHQCOSA-L 02/07/2014 Linoleate metabolism CE2305 12-hydroxy-13-O-D-glucuronoside-octadec-9Z-enoate C24H40O10 -2 WDJRXGFYLUIKBX-GRIBZEQKSA-L 02/07/2014 Linoleate metabolism CE2306 12-O-D-glucuronoside-13-hydroxyoctadec-9Z-enoate C24H40O10 -2 ZWDYIYOIBZOENK-GRIBZEQKSA-L 02/07/2014 Linoleate metabolism CE2313 4,4-dimethylcholesta-8(9),14-dien-3beta-ol C29H48O 0 OGQJUYXFIOFTMA-SZLISJLNSA-N 02/07/2014 Cholesterol metabolism CE2314 4,4-dimethylcholesta-8(9)-en-3beta-ol C29H50O 0 C15915 23724604 FYHRVINOXYETMN-HFPXORMNSA-N HMDB06840 02/07/2014 Cholesterol metabolism CE2315 cholesta-8(9)-en-3beta-ol C27H46O 0 C03845 101770 16608 HMDB06841 02/07/2014 CE2321 cholesta-5,7,24-trien-3beta-ol C27H42O 0 C05107 440558 27910 HMDB03896 02/07/2014 CE2345 7alpha-hydroxy-3-oxo-4-cholestenoic acid anion C27H41O4 -1 SATGKQGFUDXGAX-KFNQEEOWSA-M 02/07/2014 Bile acid synthesis CE2414 (3S,7R,11R)-phytanate C20H39O2 -1 C01607 26840 RLCKHJSFHOZMDR-UHFFFAOYSA-M HMDB00801 02/07/2014 Fatty acid oxidation CE2416 (2R,6S,10S)-pristanate C19H37O2 -1 02/07/2014 CE2417 3(S)-hydroxy-5Z,8Z-tetradecadienoyl-CoA C35H54N7O18P3S -4 TUMMXOLSCVKROK-IGNRKQBUSA-J 02/07/2014 Fatty acid oxidation CE2418 (3S)-3-hydroxy-cis,cis-palmito-7,10-dienoyl-CoA C37H58N7O18P3S -4 53481423 FODZOBVFWXSQFM-JUUBWDNMSA-J HMDB0012473 02/07/2014 Fatty acid oxidation CE2420 (3S)-3-hydroxydodec-cis-6-enoyl-CoA C33H52N7O18P3S -4 53481428 XPCGRNRSXHPWGU-IDCSGFPPSA-J HMDB0012476 02/07/2014 Fatty acid oxidation CE2421 (3S)-3-hydroxylinoleoyl-CoA C39H62N7O18P3S -4 53481430 ICMPOMMDSLXBOC-VDDVCRISSA-J HMDB0012477 02/07/2014 Fatty acid oxidation CE2422 3-oxo-cis,cis-7,10-hexadecadienoyl-CoA C37H56N7O18P3S -4 KNNRGBNFOIBVKN-ULEVOUIXSA-J 02/07/2014 Fatty acid oxidation CE2424 3-oxo-cis,cis-5,8-tetradecadienoyl-CoA C35H52N7O18P3S -4 XOCYFFRISHLAMW-MURFETPASA-J 02/07/2014 Fatty acid oxidation CE2431 cis-deca-4-enoyl-CoA C31H48N7O17P3S -4 6443609 HMDB02145 02/07/2014 CE2432 trans-2-cis,cis-5,8-tetradecatrienoyl-CoA C35H52N7O17P3S -4 JSDPYDDAJCNOIE-ZIFDZGMNSA-J 02/07/2014 Fatty acid oxidation CE2433 trans,cis,cis-2,7,10-hexadecatrienoyl-CoA C37H56N7O17P3S -4 WJHWJZSGWIEAAU-MKELHTCUSA-J 02/07/2014 Fatty acid oxidation CE2434 trans,cis,cis-2,9,12-octadecatrienoyl-CoA C39H60N7O17P3S -4 XNZJYLZAYIJRPB-WRLNWUIESA-J 02/07/2014 Fatty acid oxidation CE2435 trans,cis-deca-2,4-dienoyl-CoA C31H46N7O17P3S -4 02/07/2014 CE2437 2E,6Z,9Z,12Z-octadecatetraenoyl-CoA C39H58N7O17P3S -4 ARCCYNRJAHXWRR-GLFJJHKKSA-J 02/07/2014 Fatty acid oxidation CE2438 3(S)-hydroxy-6Z,9Z,12Z-octadecatrienoyl-CoA C39H60N7O18P3S -4 JCYIHBAQURWSOM-IVFOVFFGSA-J 02/07/2014 Fatty acid oxidation CE2439 3-oxo-6Z,9Z,12Z-octadecatrienoyl-CoA C39H58N7O18P3S -4 MXEGJRWBNSTXJD-CGCMWYNUSA-J 02/07/2014 Fatty acid oxidation CE2440 4Z,7Z,10Z-hexadecatrienoyl-CoA C37H56N7O17P3S -4 YYLOAXRAIXUEOW-SWAOFMSXSA-J 02/07/2014 Fatty acid oxidation CE2441 2E,4Z,7Z,10Z-hexadecatetraenoyl-CoA C37H54N7O17P3S -4 DNBBSGAGPHVPCV-MZONPMEBSA-J 02/07/2014 Fatty acid oxidation CE2442 3Z,7Z,10Z-hexadecatrienoyl-CoA C37H56N7O17P3S -4 ZNIIDPYHPPJCFQ-UPURPSNISA-J 02/07/2014 Fatty acid oxidation CE2445 6-trans-Leukotriene B4 C20H31O4 0 5283128 63981 VNYSSYRCGWBHLG-WUCRUUDWSA-N HMDB05087 02/07/2014 Eicosanoid metabolism CE2446 6E-12-epi-leukotriene B4 C20H31O4 -1 5283129 VNYSSYRCGWBHLG-IZPFSQSFSA-M HMDB05088 02/07/2014 Eicosanoid metabolism CE2449 11,12-Dihydroxy-5(E),7(E),9(E),14(Z)-Eicosatetraenoate C20H31O4 -1 WVWVHLGTIQIEQY-RFCWCTBRSA-M 03/01/2017 CE2510 Eicosenoic acid C20H37O2 0 C16526 5282768 32425 BITHHVVYSMSWAG-KTKRTIGZSA-M HMDB02231 02/07/2014 Fatty acid synthesis CE2512 13-docosenoate C22H41O2 -1 C08316 8216 28792 HMDB02068 02/07/2014 CE2513 15-tetracosenoate C24H45O2 -1 C08323 65032 44247 HMDB02368 02/07/2014 CE2516 (8Z,11Z,14Z)-eicosatrienoic acid C20H33O2 -1 C03242 5280581 HOBAELRKJCKHQD-UHFFFAOYSA-M HMDB02925 02/07/2014 Eicosanoid metabolism CE2537 15(S)-Hydroxyeicosatrienoic acid C20H33O3 0 5283145 IUKXMNDGTWTNTP-OAHXIXLCSA-N HMDB05045 02/07/2014 Eicosanoid metabolism CE2539 9-Hydroxyoctadecadienoate C18H31O3 -1 NPDSHTNEKLQQIJ-ZJHFMPGASA-M 03/01/2017 CE2540 timnodonate C20H29O2 -1 C06428 3209 28364 HMDB01999 02/07/2014 CE2565 15(R)-Hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoate C20H31O3 -1 3246888 JSFATNQSLKRBCI-IBGZPJMESA-M 02/07/2014 Arachidonic acid metabolism CE2566 5(S),6(S)-epoxy-15(R)-hydroxyeicosatetraenoate C20H29O4 -1 YNHSGCYEQVDEOY-VCUQBBRCSA-M 02/07/2014 Arachidonic acid metabolism CE2567 5(S),6(S)-epoxy-15(S)-hydroxy-7E,9E,11Z,13E-eicosatetraenoic acid anion C20H29O4 -1 YNHSGCYEQVDEOY-RQVGWZDASA-M 02/07/2014 Arachidonic acid metabolism CE2568 15-epi-lipoxin A4 C20H31O5 -1 3934 IXAQOQZEOGMIQS-ZTSPYCFWSA-M HMDB12587 02/07/2014 Arachidonic acid metabolism CE2569 15-epi-lipoxin B4 C20H31O5 -1 UXVRTOKOJOMENI-HYHJBNTLSA-M 02/07/2014 Arachidonic acid metabolism CE2576 4-hydroperoxy-2-nonenal C9H16O3 0 55189 TVNYLRYVAZWBEH-FNORWQNLSA-N 02/07/2014 Linoleate metabolism CE2577 4-oxo-2-nonenal C9H14O2 0 216297 58972 SEPPVOUBHWNCAW-FNORWQNLSA-N HMDB0060285 02/07/2014 Linoleate metabolism CE2591 trans,cis-hexadeca-2,9-dienoyl-CoA C37H58N7O17P3S -4 BEQWCBBSKHMRCA-PTOQVCNNSA-J 02/07/2014 Fatty acid oxidation CE2592 (S)-3-hydroxypalmitoleoyl-CoA C37H60N7O18P3S -4 53481439 ZIRSQPAPHGZDIL-HKQFKPPYSA-J HMDB0012487 02/07/2014 Fatty acid oxidation CE2594 trans,cis-myristo-2,7-dienoyl-CoA C35H54N7O17P3S -4 MWKSUVQQMPJTPP-JENWRTLWSA-J 02/07/2014 Fatty acid oxidation CE2596 trans,cis-dodeca-2,5-dienoyl-CoA C33H50N7O17P3S -4 ZSJRXHRCABOSNC-WBVBYKIGSA-J 02/07/2014 Fatty acid oxidation CE2597 3(S)-3-hydroxydodecen-(5Z)-oyl-CoA C33H52N7O18P3S -4 53481515 AYORDFMYYBNSBO-JPJFQEQPSA-J HMDB0012674 02/07/2014 Fatty acid oxidation CE2615 2-hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline C11H11N5O 0 FVNCCTJGBOTWTM-UHFFFAOYSA-N 02/07/2014 Miscellaneous CE2616 2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline C17H18N5O7 -1 KQXABOQRCQHWAK-KHMAMNHCSA-M 02/07/2014 Miscellaneous CE2705 quinonoid dihydrobiopterin C9H13N5O3 0 C02953 252 64277 FEMXZDUTFRTWPE-UHFFFAOYSA-N HMDB00038 02/07/2014 Tetrahydrobiopterin metabolism CE2725 9,10-Epoxy-12Z-Octadecenoic Acid C18H31O3 -1 XGWQFZNNYMWXIK-DEFDFUCDSA-N 03/01/2017 CE2726 7,8-Epoxy-(4Z,10Z)-Hexadecadienoic Acid C16H24O3 -1 ZRBUVGKXCDZZIE-VRHVFUOLSA-N 03/01/2017 CE2727 5,6-Epoxy-(8Z)-Tetradecenoic Acid C14H22O3 -1 RNYSJEVWJSVSCN-SREVYHEPSA-N 03/01/2017 CE2728 10,11-Epoxy-(4Z,7Z)-Hexadecadienoic Acid C16H25O3 -1 HJZUGOWXTPCJAW-BSIYMUDXSA-N 03/01/2017 CE2729 8,9-Epoxy-(5Z)-Tetradecenoic Acid C16H25O3 -1 HVKRACIOWWVFEP-DAXSKMNVSA-N 03/01/2017 CE2751 dynorphin A (1-5) C28H37N5O7 0 URLZCHNOLZSCCA-XPWALMASSA-N 02/07/2014 Miscellaneous CE2754 3,3,5 - triiodothyronine C15H12I3NO4 0 C07639 53393659 HZCBWYNLGPIQRK-GFCCVEGCSA-N 02/07/2014 Tyrosine metabolism CE2838 maltononaose C54H92O46 0 53481575 KEFAHNNQIPSIMC-WMKZAYDFSA-N HMDB0013001 02/07/2014 Starch and sucrose metabolism CE2839 maltodecaose C60H102O51 0 53481573 RJQKKZNUWRIHCS-VBNQBVOGSA-N HMDB0012999 02/07/2014 Starch and sucrose metabolism CE2846 fructoselysine 3-phosphate C12H24N2O10P -1 OXAQHBGIHTYFQQ-SNXWAXQRSA-M 02/07/2014 Fructose and mannose metabolism CE2847 fructoseglycine C8H15NO7 0 3081391 24108 YGUYJMQMTNJNFS-LPBLVHEISA-N HMDB0060278 02/07/2014 Fructose and mannose metabolism CE2848 fructoseglycine ketone 3-phosphate C8H14NO10P -2 UHXLZGRCSYVONF-VYNVVFCLSA-L 02/07/2014 Fructose and mannose metabolism CE2858 dynorphin A 1-8 C46H74N14O10 2 53481552 WRPLGMBDXVBPEG-PUGOIMMUSA-P HMDB12933 02/07/2014 Miscellaneous CE2862 neurotensin 1-10 C57H91N18O16 1 53481584 HRJVZMYUVJBTHQ-AYDUOSKHSA-O HMDB13023 02/07/2014 Miscellaneous CE2863 neurotensin 11-13 C21H33N3O5 0 53481585 HVPPEXXUDXAPOM-WOFBESPQSA-N HMDB0013024 02/07/2014 Miscellaneous CE2866 3,3-diiodo-L-thyronine C15H13I2NO4 0 107564 45698 CPCJBZABTUOGNM-LBPRGKRZSA-N 02/07/2014 Tyrosine metabolism CE2870 3,3-diiodo-L-thyronine 4-O-sulfate C15H12I2NO7S -1 NBAZIIRGURJZJA-LBPRGKRZSA-M 02/07/2014 Tyrosine metabolism CE2872 3,5-diiodo-L-thyronine C15H13I2NO4 0 67894139 LROTZSUGDZPWDN-CYBMUJFWSA-N 02/07/2014 Tyrosine metabolism CE2873 3,5-diiodo-L-thyronine 4-O-sulfate C15H12I2NO7S -1 BVGCAAVTXFZYKS-ZDUSSCGKSA-M 02/07/2014 Tyrosine metabolism CE2874 3-monoiodo-L-thyronine C15H14INO4 0 SXQVOFSDWXYIRP-UHFFFAOYSA-N 02/07/2014 Tyrosine metabolism CE2875 3-monoiodo-L-thyronine 4-O-sulfate C15H13INO7S -1 HPQMRLCNKPMUJD-ZDUSSCGKSA-M 02/07/2014 Tyrosine metabolism CE2876 3,5-diiodo-L-thyronine-beta-D-glucuronoside C21H20I2NO10 -1 YRBUOLMYUUYBEK-SLMSLRRSSA-M 02/07/2014 Tyrosine metabolism CE2877 3,5,3,5-tetraiodo-L-thyronine-beta-D-glucuronoside C21H18I4NO10 -1 RGHRJBIKIYUHEV-PWZDMWIRSA-M 02/07/2014 Tyrosine metabolism CE2878 3,3,5-triiodo-L-thyronine-beta-D-glucuronoside C21H19I3NO10 -1 JEHVAYWAGFSNHA-UKJVJLCYSA-M 02/07/2014 Tyrosine metabolism CE2879 3,5,3-triiodo-L-thyronine-beta-D-glucuronoside C21H19I3NO10 -1 YYFGGGCINNGOLE-UKJVJLCYSA-M 02/07/2014 Tyrosine metabolism CE2880 3,3-diiodo-L-thyronine-beta-D-glucuronoside C21H20I2NO10 -1 ADIQFGLSNXTCEF-QDVJOMROSA-M 02/07/2014 Tyrosine metabolism CE2881 3,5,3,5-tetraiodothyroacetate C14H7I4O4 -1 65552 PPJYSSNKSXAVDB-UHFFFAOYSA-M 02/07/2014 Tyrosine metabolism CE2882 3,3,5-triiodothyroacetate C14H8I3O4 -1 22660069 XLWNVHQIKWRWOE-UHFFFAOYSA-M 02/07/2014 Tyrosine metabolism CE2883 3,5,3-triiodothyroacetate C14H8I3O4 -1 5803 UOWZUVNAGUAEQC-UHFFFAOYSA-M 02/07/2014 Tyrosine metabolism CE2884 3,5-diiodothyroacetate C14H9I2O4 -1 4532725 KOTHYHWAVXIZEJ-UHFFFAOYSA-M 02/07/2014 Tyrosine metabolism CE2885 3,5,3,5-tetraiodothyroacetate-beta-D-glucuronoside C20H14I4O10 -2 GYORPZQLVMNOGY-MPSGWSHVSA-L 02/07/2014 Tyrosine metabolism CE2886 3,3,5-triiodothyroacetate-beta-D-glucuronoside C20H15I3O10 -2 QSWZGMIVPNEVJK-RHMUGHDZSA-L 02/07/2014 Tyrosine metabolism CE2887 3,5,3-triiodothyroacetate-beta-D-glucuronoside C20H15I3O10 -2 VXVBZMWOWMHXTQ-RHMUGHDZSA-L 02/07/2014 Tyrosine metabolism CE2888 3,5-diiodothyroacetate-beta-D-glucuronoside C20H16I2O10 -2 YOWDQHXNBULHCD-RHMUGHDZSA-L 02/07/2014 Tyrosine metabolism CE2890 dynorphin A (6-8) C18H39N9O4 2 53481551 BHSYMWWMVRPCPA-FVCCEPFGSA-P HMDB12932 02/07/2014 Miscellaneous CE2891 dynorphin B C74H118N21O17 3 25075991 547056 AGTSSZRZBSNTGQ-QHDWWRMQSA-Q HMDB12938 02/07/2014 Miscellaneous CE2915 beta-casomorphin C44H60N7O11 -1 4424653 ADBHAJDGVKLXHK-UHFFFAOYSA-M 02/07/2014 Miscellaneous CE2916 neocasomorphin C35H51N6O10 -1 OFSHRWCWYJBWJP-CMAHKSKVSA-M 02/07/2014 Miscellaneous CE2917 apelin-13 C69H114N23O16S 3 53481538 XXCCRHIAIBQDPX-YHQCEEEXSA-Q HMDB12894 02/07/2014 Miscellaneous CE2934 2-Methylhippuric acid C10H10NO3 0 C01586 91637 68455 YOEBAVRJHRCKRE-UHFFFAOYSA-N HMDB0011723 02/07/2014 Miscellaneous CE2947 xanthurenate-8-O-beta-D-glucoside C16H16NO9 -1 53481609 MYFHOUJDPFBJLH-XGJKELJWSA-M HMDB13118 02/07/2014 Tryptophan metabolism CE2949 oxoxanthurenate C10H5NO4 -2 FBZONXHGGPHHIY-UHFFFAOYSA-L 02/07/2014 Tryptophan metabolism CE2953 rac-5,6-epoxy-retinoate C20H27O3 -1 536537 KEEHJLBAOLGBJZ-UHFFFAOYSA-M 02/07/2014 Vitamin A metabolism CE2954 4-oxo-Retinoic acid C20H25O3 -1 C16678 6437063 GGCUJPCCTQNTJF-FRCNGJHJSA-N HMDB06285 03/01/2017 CE2955 all-trans-3,4-didehydroretinoate C20H25O2 -1 SYESMXTWOAQFET-YCNIQYBTSA-M 02/07/2014 Vitamin A metabolism CE2956 4-Hydroxyretinoic acid C20H27O3 -1 C16677 6438629 KGUMXGDKXYTTEY-FRCNGJHJSA-N HMDB06254 03/01/2017 CE2957 18-hydroxy-all-trans-retinoate C20H27O3 -1 C16679 6506224 XSJOIRFEYHJNAW-FCKHSPHMSA-M HMDB0012452 02/07/2014 Vitamin A metabolism CE2958 rac-5,6-epoxy-retinoyl-beta-D-glucuronide C26H35O9 -1 BZPOQLONXBJGAZ-XTPLATEVSA-M 02/07/2014 Vitamin A metabolism CE2959 13-cis-retinoyl-beta-D-glucuronide C26H35O8 -1 C11061 28870 HMDB03141 02/07/2014 CE2960 Rac-4-Hydroxy-4-O-(Beta-D-Glucuronide)-All-Trans-Retinoate C26H34O9 -2 03/01/2017 CE2961 4-hydroxy-all-trans-retinyl acetate C22H32O3 0 54359871 ULTPFVHSYYJYAE-UHFFFAOYSA-N 02/07/2014 Vitamin A metabolism CE2962 rac-4-hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate C28H39O9 -1 LFXATGINAILLFU-JTXDOXPPSA-M 02/07/2014 Vitamin A metabolism CE2963 5,6-epoxy-13-cis-retinoate C20H27O3 -1 536537 KEEHJLBAOLGBJZ-UHFFFAOYSA-M 02/07/2014 Vitamin A metabolism CE2964 5,8-epoxy-13-cis-retinoate C20H27O3 -1 92945 QDOSIDVGVRAXSE-UHFFFAOYSA-M 02/07/2014 Vitamin A metabolism CE3038 3beta,7alpha-dihydroxy-5-cholestenoate C27H43O4 -1 C17335 3081084 GYJSAWZGYQXRBS-GRJZKGIBSA-M 02/07/2014 Bile acid synthesis CE3074 Fructose-3-Phosphate C6H11O9P -2 03/01/2017 CE3075 sorbitol 3-phosphate C6H13O9P -2 129544 21092 RSCVCIHYYQHRMQ-FSIIMWSLSA-L 02/07/2014 Fructose and mannose metabolism CE3086 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside C16H20NO9 -1 10948689 XEXCWFKGYJFAQK-LMXXTMHSSA-M 02/07/2014 Tryptophan metabolism CE3087 beta-carboline C11H8N2 0 C20157 64961 109895 AIFRHYZBTHREPW-UHFFFAOYSA-N HMDB0012897 02/07/2014 Tryptophan metabolism CE3092 glutathionyl-3-hydroxykynurenine glucoside C26H36N5O14S -1 NAUBCUCILMZALD-AAICTPQNSA-M 02/07/2014 Tryptophan metabolism CE3136 9-cis-4-oxo-13,14-dihydro-retinoate C20H27O3 -1 XMIWQNUYRMSNDU-ZACADFMYSA-M 02/07/2014 Vitamin A metabolism CE3140 1-(1,2,3,4,5-pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate C17H22N2O7 0 21125948 LCHFAYIGHOVWSA-UHFFFAOYSA-N HMDB12492 02/07/2014 Tryptophan metabolism CE3481 1-lyso-2-arachidonoyl-phosphatidate C23H37O7P -2 53481443 BDCFJMBXZCIVRH-OIGDJMNCSA-L HMDB0012496 02/07/2014 Eicosanoid metabolism CE3554 20-trihydroxy-leukotriene-B4 C20H31O7 -1 53481513 UZWWTCBNUQJEPB-SKCJTVHHSA-M HMDB12643 02/07/2014 Eicosanoid metabolism CE4633 hypochlorous acid ClHO 0 C19697 24341 24757 QWPPOHNGKGFGJK-UHFFFAOYSA-N HMDB0059650 02/07/2014 Miscellaneous CE4722 beta-casomorphin (1-6) C38H49N6O10 -1 WUHXJZCLFYNVBB-VKLFMPCTSA-M 02/07/2014 Miscellaneous CE4723 neocasomorphin (1-5) C29H40N5O9 -1 WRNQQFNBEUKAAX-JQCUPSQQSA-M 02/07/2014 Miscellaneous CE4724 apelin (1-12) C60H105N22O15S 3 ZBIHGPXAEDFPEJ-YTUSPVEZSA-R 02/07/2014 Miscellaneous CE4753 dynorphin B (10-13) C20H40N5O6 1 53481556 VSLCIGXQLCYQTD-NPJQDHAYSA-O HMDB12936 02/07/2014 Miscellaneous CE4754 dynorphin B (6-9) C26H45N11O6 2 53481557 YTMBNLHIDIKJIU-HCXYKTFWSA-P HMDB12937 02/07/2014 Miscellaneous CE4786 nisinate C24H35O2 -1 53481586 HMDB13025 02/07/2014 CE4788 acetamidopropanal C5H9NO2 0 C18170 5460495 30322 ARJPPNFIEQKVBB-UHFFFAOYSA-N HMDB0012880 02/07/2014 Urea cycle CE4790 (3S)-3-hydroxy-cis-8-tetradecenoyl-CoA C35H56N7O18P3S -4 53481425 ZQDIAQJHDIPXDI-WCLGBGKHSA-J HMDB0012474 02/07/2014 Fatty acid oxidation CE4791 3(S)-hydroxy-dihomo-gama-linolenoyl-CoA C41H64N7O18P3S -4 GFVFSXUAKLZOGC-QCOJVYSLSA-J 02/07/2014 Fatty acid oxidation CE4792 3-oxo-cis-8-tetradecenoyl-CoA C35H54N7O18P3S -4 DMKQQTVHIVHGIT-WZBZSTFDSA-J 02/07/2014 Fatty acid oxidation CE4793 3-oxo-dihomo-gama-linolenoyl-CoA C41H62N7O18P3S -4 DJFXNRBQUUFIOS-RLYWCTMOSA-J 02/07/2014 Fatty acid oxidation CE4794 cis-6-dodecenoyl-CoA C33H52N7O17P3S -4 ZVMJJHXBJQTLEB-FFVFMXDZSA-J 02/07/2014 Fatty acid oxidation CE4795 2-trans-cis,cis,cis,cis-4,8,11,14-eicosapentaenoyl-CoA C41H60N7O17P3S -4 VEOYVBZJFWTPAJ-QNJOVTTHSA-J 02/07/2014 Fatty acid oxidation CE4796 3-oxo-(2S)-methylisocapryloyl-CoA C30H46N7O18P3S -4 RVEAGMLBRLLBNX-FHYDGDFJSA-J 02/07/2014 Fatty acid oxidation CE4797 2(R),6-dimethyl-heptanoyl-CoA C30H48N7O17P3S -4 GPXWBKWDXPBLKS-WCMGQQEJSA-J 02/07/2014 Fatty acid oxidation CE4798 2(S),6-dimethyl-heptanoyl-CoA C30H48N7O17P3S -4 GPXWBKWDXPBLKS-MSMXUDHXSA-J 02/07/2014 Fatty acid oxidation CE4799 2,6-dimethyl-trans-2-heptenoyl-CoA C30H46N7O17P3S -4 BQVMKMLUXZLYFD-DNAJKEFOSA-J 02/07/2014 Fatty acid oxidation CE4800 3(S)-hydroxy-2(S),6-dimethyl-heptanoyl-CoA C30H48N7O18P3S -4 YAVFKXHHHJEEQF-NOXPAPSPSA-J 02/07/2014 Fatty acid oxidation CE4801 3(S)-hydroxy-4(R),8-dimethyl-nonanoyl-CoA C32H52N7O18P3S -4 AGRBRZWAKOHMRQ-PKJWWYGUSA-J 02/07/2014 Fatty acid oxidation CE4802 3(S)-hydroxy-4-methyl-pentanoyl-CoA C27H42N7O18P3S -4 FVDISPKCRAHPBJ-JBZCYSOESA-J 02/07/2014 Fatty acid oxidation CE4803 3-oxo-4(R),8-dimethyl-nonanoyl-CoA C32H50N7O18P3S -4 YMYLLQAUKBJHAS-TVQARJJQSA-J 02/07/2014 Fatty acid oxidation CE4804 3-oxo-4-methyl-pentanoyl-CoA C27H40N7O18P3S -4 NVBSRDSMDMDKDD-UNJBKMQWSA-J 02/07/2014 Fatty acid oxidation CE4805 4(R),8-dimethyl-nonanoyl-CoA C32H52N7O17P3S -4 YGNKJFPEXQCWDB-DPSOZLMZSA-J 02/07/2014 Fatty acid oxidation CE4806 4(R),8-dimethyl-trans-2-nonenoyl-CoA C32H50N7O17P3S -4 ZVFQTLFMFGJTNP-MDFLYJSKSA-J 02/07/2014 Fatty acid oxidation CE4807 4-methyl-trans-2-pentenoyl-CoA C27H40N7O17P3S -4 GJLUGLKKLPHWPU-IXQQCUIMSA-J 02/07/2014 Fatty acid oxidation CE4808 4-methyl-pentanoyl-CoA C27H42N7O17P3S -4 GESPQCUXDWNNGU-ZUTYNGFBSA-J 02/07/2014 Fatty acid oxidation CE4810 3(S)-hydroxy-all-cis-8,11,14,17-eicosatetraenoyl-CoA C41H62N7O18P3S -4 PCGPHLMAAZKQFQ-ARVIECMMSA-J 02/07/2014 Fatty acid oxidation CE4811 3-keto-eicosa-8,11,14,17-all-cis-tetraenoyl-CoA C41H60N7O18P3S -4 VVLBCJHQULSXJN-QWRJARGZSA-J 02/07/2014 Fatty acid oxidation CE4812 eicosa-2E,8Z,11Z,14Z,17Z-pentaenoyl-CoA C41H60N7O17P3S -4 PTROMSLVPFEIQJ-HHNWVCTFSA-J 02/07/2014 Fatty acid oxidation CE4813 eicosa-5,8,11,14,17-all-cis-pentaenoyl-CoA C41H60N7O17P3S -4 02/07/2014 CE4814 (8Z,11Z,14Z,17Z)-eicosatetraenoyl-CoA C41H62N7O17P3S -4 02/07/2014 CE4815 stearidonoyl-CoA C39H58N7O17P3S -4 C16163 56928001 63545 HMDB06519 02/07/2014 CE4816 2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA C45H66N7O17P3S -4 MMZJVINJFSRJOK-PPMNHUTISA-J 02/07/2014 Fatty acid oxidation CE4817 3(S)-hydroxy-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA C43H64N7O18P3S -4 KIDYDCLNVXONEF-KVPQSVNFSA-J 02/07/2014 Fatty acid oxidation CE4818 3(S)-hydroxy-tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA C45H68N7O18P3S -4 DRQAURCKCKDINZ-MCCIAGEQSA-J 02/07/2014 Fatty acid oxidation CE4819 3-oxo-docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA C43H62N7O18P3S -4 SLYKKQSPRFJDAF-GTFOGWGYSA-J 02/07/2014 Fatty acid oxidation CE4820 3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA C45H66N7O18P3S -4 UQPANOGFYCZRAV-IKQFDBQFSA-J 02/07/2014 Fatty acid oxidation CE4821 2-trans-7,10,13,16,19-all-cis-docosahexaenoyl-CoA C43H62N7O17P3S -4 HGVXUTAEZALTIG-MNISZZRLSA-J 02/07/2014 Fatty acid oxidation CE4822 docosa-7,10,13,16,19-all-cis-pentaenoyl-CoA C43H64N7O17P3S -4 53477812 HMDB06267 02/07/2014 CE4823 tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA C45H66N7O17P3S -4 02/07/2014 CE4824 tetracosa-9,12,15,18,21-all-cis-pentaenoyl-CoA C45H68N7O17P3S -4 C16167 23724644 BNAMTMVBOVNNSH-XMLSFASZSA-J HMDB0060222 02/07/2014 Fatty acid oxidation CE4825 (3S)-hydroxy-tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA C45H66N7O18P3S -4 53481432 JJCGUWRDULVWQG-VXLHGKKBSA-J HMDB0012479 02/07/2014 Fatty acid metabolism CE4826 3-oxo-all-cis-6,9,12,15,18,21-tetracosahexaenoyl-CoA C45H64N7O18P3S -4 DNHDPAXPQGYGIJ-JSNKACPDSA-J 02/07/2014 Fatty acid oxidation CE4827 docosa-4,7,10,13,16,19-all-cis-hexaenoyl-CoA C43H62N7O17P3S -4 C16169 23724646 MENFZXMQSYYVRK-ZNLHIGMYSA-J HMDB0060198 02/07/2014 Fatty acid oxidation CE4828 trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA C45H64N7O17P3S -4 C16374 53477810 NVOWZIBKQIWTDG-JMQODKLKSA-J HMDB06260 02/07/2014 Fatty acid metabolism CE4829 adrenoyl-CoA C43H64N7O17P3S -4 02/07/2014 CE4830 2-trans-9,12,15,18-all-cis-tetracosapentaenoyl-CoA C45H68N7O17P3S -4 AVRCOFDAWHWKMB-IDQWWGNISA-J 02/07/2014 Fatty acid oxidation CE4831 3(S)-hydroxy-docosa-7,10,13,16-all-cis-tetraenoyl-CoA C43H66N7O18P3S -4 JHXLRLHTJYMVBK-PVOVNOSPSA-J 02/07/2014 Fatty acid oxidation CE4832 3(S)-hydroxy-tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA C45H68N7O18P3S -4 NNEPPYNERZEJEE-UPRGOYRGSA-J 02/07/2014 Fatty acid oxidation CE4833 3-oxo-docosa-7,10,13,16-all-cis-tetraenoyl-CoA C43H64N7O18P3S -4 VMAJWSSWCPBIJY-AGJDHKCOSA-J 02/07/2014 Fatty acid oxidation CE4834 3-oxo-tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA C45H68N7O18P3S -4 WSALICWLARPULC-OSVLOGCNSA-J 02/07/2014 Fatty acid oxidation CE4835 2E,7Z,10Z,13Z,16Z-docosapentaenoyl-CoA C43H64N7O17P3S -4 XSIBQUOFLNIVEK-XPBIURITSA-J 02/07/2014 Fatty acid oxidation CE4836 tetracosa-6,9,12,15,18-all-cis-pentaenoyl-CoA C45H68N7O17P3S -4 02/07/2014 CE4837 tetracosa-9,12,15,18-all-cis-tetraenoyl-CoA C45H70N7O17P3S -4 C16171 53477846 OKOXEYTYHDPTEW-LDTRCVKVSA-J HMDB06516 02/07/2014 Fatty acid oxidation CE4838 trans-2-all-cis-6,9,12,15,18-tetracosahexaenoyl-CoA C45H66N7O17P3S -4 UYOKHWFEUAJFMG-FEMJCMIVSA-J 02/07/2014 Fatty acid oxidation CE4839 6,9,12,15,18-all-cis-tetracosapentaenoate C24H37O2 -1 14505435 HMDB06322 02/07/2014 CE4840 (3S)-hydroxy-eicosa-cis,cis-11,14-dienoyl-CoA C41H66N7O18P3S -4 MNTSLNSVZACNCX-QHKLFXJVSA-J 02/07/2014 Fatty acid oxidation CE4841 3-oxoeicosa-cis,cis-11,14-dienoyl-CoA C41H64N7O18P3S -4 PUWDUOCPCWFEFG-YUKGHZHKSA-J 02/07/2014 Fatty acid oxidation CE4842 trans,cis,cis-2,11,14-eicosatrienoyl-CoA C41H64N7O17P3S -4 JLHULLPFTGLIGF-NDKQPGGISA-J 02/07/2014 Fatty acid oxidation CE4843 cis,cis-11,14-eicosadienoyl-CoA C41H66N7O17P3S -4 C16180 YCKYOUVXZZJCIU-CPZXDSACSA-J 02/07/2014 Fatty acid oxidation CE4844 3(S)-hydroxy-10,13,16-all-cis-docosatrienoyl-CoA C43H68N7O18P3S -4 SHYOGNDOVWXSLL-HYIOPBCUSA-J 02/07/2014 Fatty acid oxidation CE4845 3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA C43H66N7O18P3S -4 GPKHWNMCLWDFOL-YYOOZTOSSA-J 02/07/2014 Fatty acid oxidation CE4846 trans,cis,cis,cis-2,10,13,16-docosatetraenoyl-CoA C43H66N7O17P3S -4 KFIUKMFBVDDVDZ-QDVXPSPJSA-J 02/07/2014 Fatty acid oxidation CE4847 cis,cis,cis-10,13,16-docosatrienoyl-CoA C43H68N7O17P3S -4 NRFSUEZXHDEQRO-YYOOZTOSSA-J 02/07/2014 Fatty acid oxidation CE4848 3(S)-hydroxy-docosa-10,13,16,19-all-cis-tetraenoyl-CoA C43H66N7O18P3S -4 DALQBBQTVPOKDP-NEROYMAKSA-J 02/07/2014 Fatty acid oxidation CE4849 3(S)-hydroxy-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA C45H70N7O18P3S -4 VYZWWTGHKBYTPF-KHFKNKFYSA-J 02/07/2014 Fatty acid oxidation CE4850 3-oxo-docosa-10,13,16,19-all-cis-tetraenoyl-CoA C43H64N7O18P3S -4 MUBUSEARPWRSQN-XMTMOFKOSA-J 02/07/2014 Fatty acid oxidation CE4851 3-oxo-tetracosa-12,15,18,21-all-cis-tetraenoyl-CoA C45H68N7O18P3S -4 HPMVBGKWFWCZAY-JDTXFHFDSA-J 02/07/2014 Fatty acid oxidation CE4852 trans,cis,cis,cis,cis-2,10,13,16,19-docosapentaenoyl-CoA C43H64N7O17P3S -4 YGPXPVHOFOFFGA-ZTZKHISVSA-J 02/07/2014 Fatty acid oxidation CE4853 trans,cis,cis,cis,cis-2,12,15,18,21-tetracosapentaenoyl-CoA C45H68N7O17P3S -4 PJWUUOREXKKLME-RMETWYQESA-J 02/07/2014 Fatty acid oxidation CE4854 all-cis-10,13,16,19-docosatetraenoyl-CoA C43H66N7O17P3S -4 BEEQBBPNTYBGDP-XCDRBBNYSA-J 02/07/2014 Fatty acid oxidation CE4855 all-cis-12,15,18,21-tetracosatetraenoyl-CoA C45H70N7O17P3S -4 LLJDAYKOCIXVML-JDTXFHFDSA-J 02/07/2014 Fatty acid oxidation CE4872 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-al C27H46O4 0 C01301 439479 USFJGINJGUIFSY-VQKUADTHSA-N HMDB03533 02/07/2014 Bile acid synthesis CE4874 5beta-cholestane-3alpha,7alpha,12alpha,27,27-pentaol C27H48O5 0 ISDIRLRPWGRAHM-ZWMZIDRZSA-N 02/07/2014 Bile acid synthesis CE4876 delta12-Prostaglandin J2 C20H29O4 -1 114678 TUXFWOHFPFBNEJ-IRXDYDNUSA-M 02/07/2014 Eicosanoid metabolism CE4877 15-deoxy-prostaglandin J2 C20H27O3 -1 C14717 404025 607727 VHRUMKCAEVRUBK-GODQJPCRSA-M HMDB05079 02/07/2014 Eicosanoid metabolism CE4881 nitryl chloride ClNO2 0 13932711 NXRVFVBNLWGOCL-UHFFFAOYSA-N 02/07/2014 Miscellaneous CE4888 dopaminochrome C8H7NO2 0 C05578 114683 27404 SGNZYJXNUURYCH-UHFFFAOYSA-N HMDB04058 02/07/2014 Miscellaneous CE4890 N-methylsalsolinol C11H16NO2 1 124148 RKMGOUZXGHZLBJ-ZETCQYMHSA-O HMDB03892 02/07/2014 Tyrosine metabolism CE4898 13-carboxy-gama-tocopherol C28H45O4 -1 53481463 WPZHQZIUOXUCOK-PXUFRVCMSA-M HMDB12557 02/07/2014 Vitamin E metabolism CE4922 Noladin-Ether X 0 03/01/2017 CE4936 N-acetyl-leukotriene E4 C25H37NO6S -2 C11361 53477792 BGGYAYMMFYBWEX-PJEAHERNSA-L HMDB05084 02/07/2014 Eicosanoid metabolism CE4968 isovalerylglycine C7H12NO3 -1 546304 70984 ZRQXMKMBBMNNQC-UHFFFAOYSA-M HMDB00678 02/07/2014 Glycine, serine, alanine, and threonine metabolism CE4969 isobutyrylglycine C6H10NO3 -1 10855600 70979 DCICDMMXFIELDF-UHFFFAOYSA-M HMDB00730 02/07/2014 Glycine, serine, alanine, and threonine metabolism CE4970 2-methylbutyrylglycine C7H12NO3 -1 193872 240943 HOACIBQKYRHBOW-UHFFFAOYSA-M HMDB00339 02/07/2014 Glycine, serine, alanine, and threonine metabolism CE4980 Prostaglandin PGE2 glyceryl ester C23H38O7 0 53481593 HJWDPZIOTMUWRW-KSGZNQJUSA-N HMDB0013045 02/07/2014 Eicosanoid metabolism CE4987 10,11-dihydro-leukotriene B4 C20H33O4 -1 53481449 NKUPFHTVILUPKF-XOXFXLBCSA-M HMDB12504 02/07/2014 Eicosanoid metabolism CE4988 10,11-dihydro-12-epi-leukotriene B4 C20H33O4 -1 NKUPFHTVILUPKF-BQYFPHNDSA-M 02/07/2014 Eicosanoid metabolism CE4989 20-OH-10,11-dihydro-leukotriene B4 C20H33O5 -1 XDXPWMISTPZJGX-JDDWRDQVSA-M 02/07/2014 Eicosanoid metabolism CE4990 12-oxo-leukotriene B4 C20H29O4 -1 C05949 5280876 27814 SJVWVCVZWMJXOK-UFMRDWSVSA-M HMDB04234 02/07/2014 Eicosanoid metabolism CE4993 10,11-dihydro-12R-hydroxy-leukotriene C4 C30H47N3O10S -2 GULYHEJDDHEDJT-BVLKIJLXSA-L 02/07/2014 Eicosanoid metabolism CE5013 14-hydroxy-4,14-retro-retinol C20H30O2 0 6449967 PCRZONNRANOQPA-WBWVJYLOSA-N 02/07/2014 Vitamin A metabolism CE5014 anhydroretinol C20H28 0 5287678 793340 FWNRILWHNGFAIN-OYUWDNMLSA-N HMDB0062447 02/07/2014 Vitamin A metabolism CE5016 13,14-dihydroxy-retinol C20H32O3 0 IPJVXOBBCWHWMP-RLGMBWBISA-N 02/07/2014 Vitamin A metabolism CE5021 alpha-tocopheryl hydroquinone C29H52O3 0 JOURHZSBLWSODQ-NRVWMRPUSA-N 02/07/2014 Vitamin E metabolism CE5022 alpha-tocopheryl quinone C29H50O3 0 24205 LTVDFSLWFKLJDQ-UHFFFAOYSA-N HMDB0034408 02/07/2014 Vitamin E metabolism CE5025 5-S-glutathionyl-dopamine C18H26N4O8S 0 YTAAHCYRCMYQCJ-QWRGUYRKSA-N 02/07/2014 Tyrosine metabolism CE5026 5-S-glutathionyl-L-DOPA C19H25N4O10S -1 QPUCCRKMCAEIND-JRUYECLLSA-M 02/07/2014 Tyrosine metabolism CE5049 one carbon unit CH2 0 50728 MDUNCNLRRKCJGZ-UHFFFAOYSA-N 02/07/2014 Cholesterol metabolism CE5068 2-methylglutaconic acid C6H6O4 -2 6368126 JKGHDBJDBRBRNA-UHFFFAOYSA-N HMDB02266 02/07/2014 Valine, leucine, and isoleucine metabolism CE5072 21-hydroxyallopregnanolone C21H34O3 0 C13713 101771 805752 CYKYBWRSLLXBOW-GDYGHMJCSA-N HMDB00879 02/07/2014 Miscellaneous CE5079 1alpha-hydroxy-23-carboxy-24,25,26,27-tetranorvitamin D3 C23H33O4 -1 02/07/2014 CE5082 N-acetyl-L-cystathionine C9H15N2O5S -1 QWACVTVBTRSCRL-UHFFFAOYSA-M 02/07/2014 Methionine and cysteine metabolism CE5101 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) C11H15O16P2R2 -3 C11557 57795 02/07/2014 Phosphatidylinositol phosphate metabolism CE5114 trans-2-cis,cis,cis-8,11,14-eicosatetraenoyl-CoA C41H62N7O17P3S -4 WQDZFNIBNFNRLF-KMATUDAISA-J 02/07/2014 Fatty acid oxidation CE5115 trans-3-cis-5,8,11,14-eicosapentaenoyl-CoA C41H60N7O17P3S -4 PHIGJHMEMQBUMA-RFQMKJEJSA-J 02/07/2014 Fatty acid oxidation CE5116 trans-3-cis-8,11,14-eicosatetraenoyl-CoA C41H62N7O17P3S -4 WQDZFNIBNFNRLF-KMATUDAISA-J 02/07/2014 Fatty acid oxidation CE5117 (3E,5Z,8Z)-tetradecatrienoyl-CoA C35H52N7O17P3S -4 53481421 FXHAQFYRGXSRHS-BXURZGJDSA-J HMDB12472 02/07/2014 Fatty acid oxidation CE5118 trans-2-cis,cis-4,8-tetradecatrienoyl-CoA C35H52N7O17P3S -4 UNKYOAASBNXUKG-PZZJOPBOSA-J 02/07/2014 Fatty acid oxidation CE5119 trans-3-cis-8-tetradecadienoyl-CoA C35H54N7O17P3S -4 IHYQVHHPNVFYHJ-XUGFFYHCSA-J 02/07/2014 Fatty acid oxidation CE5120 trans-2-cis-8-tetradecadienoyl-CoA C35H54N7O17P3S -4 SLIJUARARQEXRE-NWLLKRMZSA-J 02/07/2014 Fatty acid oxidation CE5121 trans-3-decenoyl-CoA C31H48N7O17P3S -4 16019966 29126 HMDB02137 02/07/2014 CE5122 3(S)-phytanoyl-CoA C41H70N7O17P3S -4 C02060 439640 NRJQGHHZMSOUEN-BJETZBMBSA-J HMDB01359 02/07/2014 Fatty acid oxidation CE5123 3(S)-2-hydroxyphytanoyl-CoA C41H70N7O18P3S -4 C07343 441263 15475 WNVFJMYPVBOLKV-YLNUKALLSA-J HMDB01295 02/07/2014 Fatty acid oxidation CE5124 Pristanal X 0 03/01/2017 CE5125 (2S)-pristanoyl-CoA C40H68N7O17P3S -4 XYJPSQPVCBNZHT-SCUPUGGFSA-J 02/07/2014 Fatty acid oxidation CE5126 (2R)-pristanoyl-CoA C40H68N7O17P3S -4 C01089 441 XYJPSQPVCBNZHT-QWDPMMQESA-J HMDB00357 02/07/2014 Fatty acid oxidation CE5132 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) C11H14O19P3R2 -5 57923 02/07/2014 CE5133 3Alpha,7Alpha-Dihydroxy-5Beta-Cholestan-27-Al C27H46O5 0 MZWYIFQIBJLCBI-OYYINRPOSA-N 03/01/2017 CE5138 12-oxo-20-hydroxy-leukotriene B4 C20H29O5 -1 53481459 CZWPUWRHQBAXJS-QPPAMNDKSA-M HMDB12552 02/07/2014 Eicosanoid metabolism CE5139 12-oxo-20-dihydroxy-leukotriene B4 C20H29O6 -1 53481458 SBSLZLBZGOASJL-QWSDKYSWSA-M HMDB12551 02/07/2014 Eicosanoid metabolism CE5140 12-oxo-20-trihydroxy-leukotriene B4 C20H29O7 -1 53481460 QVZXILIWUPKGPA-OPOOLZJDSA-M HMDB12553 02/07/2014 Eicosanoid metabolism CE5141 12,20-dioxo-leukotriene B4 C20H27O5 -1 CPTWPKCLDUXOKW-QPPAMNDKSA-M 02/07/2014 Eicosanoid metabolism CE5144 3-oxo-11-cis-eicosenoyl-CoA C41H66N7O18P3S -4 ASKKPQKSCFYPPP-JPKCQDBUSA-J 02/07/2014 Fatty acid synthesis CE5148 3(S)-hydroxy-11-cis-eicosenoyl-CoA C41H68N7O18P3S -4 PREOMQKNJXWCLZ-XSAVFXOCSA-J 02/07/2014 Fatty acid synthesis CE5150 trans,cis-2,11-eicosadienoyl-CoA C41H66N7O17P3S -4 LAECEUXZOONXDY-HSHMGGPLSA-J 02/07/2014 Fatty acid synthesis CE5151 11-cis-eicosenoyl-CoA C41H68N7O17P3S -4 ZDRKXADSROCWCG-JPKCQDBUSA-J 02/07/2014 Fatty acid synthesis CE5152 3-oxo-13cis-docosenoyl-CoA C43H70N7O18P3S -4 TWKFVJBYYSLPHE-MVWMFJOUSA-J 02/07/2014 Fatty acid synthesis CE5153 3(S)-hydroxy-13cis-docosenoyl-CoA C43H72N7O18P3S -4 FIPHCVZAQUEADL-PPPYEPNTSA-J 02/07/2014 Fatty acid synthesis CE5154 trans,cis-2,13-docosadienoyl-CoA C43H70N7O17P3S -4 UYOUIGJQABBRNN-NXIJUQBUSA-J 02/07/2014 Fatty acid synthesis CE5155 cis-13-docosenoyl-CoA C43H72N7O17P3S -4 C16531 71448925 OWGHRDKRIGXBJM-MVWMFJOUSA-J HMDB0062217 02/07/2014 Fatty acid synthesis CE5156 3-oxo-cis-15-tetracosaenoyl-CoA C45H74N7O18P3S -4 OYATWRUGHUAXMW-KPDLDTBJSA-J 02/07/2014 Fatty acid synthesis CE5157 3(S)-hydroxy-cis-15-tetracosaenoyl-CoA C45H76N7O18P3S -4 SOQFCYAWKYIIHN-CPMSOIFOSA-J 02/07/2014 Fatty acid synthesis CE5158 trans,cis-2,15-tetracosadienoyl-CoA C45H74N7O17P3S -4 VXYLAQGCUVCPNJ-HOOSPARASA-J 02/07/2014 Fatty acid synthesis CE5159 cis-15-tetracosenoyl-CoA C45H76N7O17P3S -4 02/07/2014 CE5160 3-oxo-cis-9-octadecenoyl-CoA C39H62N7O18P3S -4 AVEYYKDEKGJVBU-BTGYZWEPSA-J 02/07/2014 Fatty acid synthesis CE5161 3(S)-hydroxy-cis-9-octadecenoyl-CoA C39H64N7O18P3S -4 LHAYYTCFPMUQNR-WNBYKCIMSA-J 02/07/2014 Fatty acid synthesis CE5162 trans,cis-2,9-octadecadienoyl-CoA C39H62N7O17P3S -4 REOYMONHGHULEY-QPXATSSCSA-J 02/07/2014 Fatty acid synthesis CE5165 25(R)-trihydroxycoprostanoyl-CoA C48H76N7O20P3S -4 02/07/2014 CE5166 25(S)-trihydroxycoprostanoyl-CoA C48H76N7O20P3S -4 C17343 15942888 15493 MNYDLIUNNOCPHG-TUTZYBGQSA-J HMDB0060307 02/07/2014 Fatty acid oxidation CE5168 24(R),25(R)-varanoyl-CoA C48H76N7O21P3S -4 PXHZOQNODUPJKC-WYPPBEQDSA-J 02/07/2014 Fatty acid oxidation CE5169 24-oxo-25(R)-trihydroxycoprostanoyl-CoA C48H74N7O21P3S -4 C05467 440690 27379 AWLXQJGPNLCTLM-YFXOTMPNSA-J HMDB06891 02/07/2014 Fatty acid oxidation CE5178 5-oxo-6-trans-leukotriene B4 C20H29O4 -1 53481526 MLZJFLKEKVDNAZ-ZQVKGQNISA-M HMDB12824 02/07/2014 Arachidonic acid metabolism CE5179 6,7-dihydro-5-oxo-leukotriene B4 C20H31O4 -1 RUTQOBJLGHUCJC-GOSISDBHSA-M 02/07/2014 Eicosanoid metabolism CE5236 O2-4a-cyclic-tetrahydrobiopterin C9H13N5O3 0 53481588 JZTDUNXDDUJXRZ-UPYOWCHBSA-N HMDB0013031 02/07/2014 Tetrahydrobiopterin metabolism CE5239 2-hydroxy-17beta-estradiol-4-S-glutathione C28H38N3O9S -1 RCTUXLCVWTYQMR-MTWSBYMSSA-M 02/07/2014 Androgen and estrogen synthesis and metabolism CE5240 2-hydroxyestrone-4-S-glutathione C28H36N3O9S -1 53481502 ZKSQMGPMDHYFMB-GEAYSQNSSA-M HMDB12624 02/07/2014 Androgen and estrogen synthesis and metabolism CE5241 2-hydroxy-17beta-estradiol-1-S-glutathione C28H38N3O9S -1 RJWRZPLAJHOFTD-VPMSSODUSA-M 02/07/2014 Androgen and estrogen synthesis and metabolism CE5242 2-hydroxyestrone-1-S-glutathione C28H36N3O9S -1 53481501 DGWRLJJHHOOYBF-DVFAMAHMSA-M HMDB12623 02/07/2014 Androgen and estrogen synthesis and metabolism CE5243 4-hydroxy-17beta-estradiol-2-S-glutathione C28H38N3O9S -1 ARFSXJIGVSWGDY-QKJBUJNWSA-M 02/07/2014 Androgen and estrogen synthesis and metabolism CE5244 4-hydroxyestrone-2-S-glutathione C28H36N3O9S -1 53481521 UKCFCQKNUGHMIT-GEAYSQNSSA-M HMDB12780 02/07/2014 Androgen and estrogen synthesis and metabolism CE5249 17beta-estradiol-3,4-quinone C18H22O3 0 XVPUMLOTNZVTSL-BLNOFITASA-N 02/07/2014 Androgen and estrogen synthesis and metabolism CE5250 17beta-estradiol-2,3-quinone C18H22O3 0 LBSRSXWOMYPVBY-GVSKICRLSA-N 02/07/2014 Androgen and estrogen synthesis and metabolism CE5251 estrone-3,4-quinone C18H20O3 0 53481560 REMSDZFYMQQJFD-PEDDLLMLSA-N HMDB0012942 02/07/2014 Androgen and estrogen synthesis and metabolism CE5252 estrone-2,3-quinone C18H20O3 0 53481559 WFPLOQDPWXNOST-PEDDLLMLSA-N HMDB0012941 02/07/2014 Androgen and estrogen synthesis and metabolism CE5253 17beta-estradiol-3,4-semiquinone C18H22O3 0 02/07/2014 Androgen and estrogen synthesis and metabolism CE5254 17beta-estradiol-2,3-semiquinone C18H22O3 0 02/07/2014 Androgen and estrogen synthesis and metabolism CE5255 estrone-3,4-semiquinone C18H20O3 0 02/07/2014 Androgen and estrogen synthesis and metabolism CE5256 estrone-2,3-semiquinone C18H20O3 0 02/07/2014 Androgen and estrogen synthesis and metabolism CE5272 3,4-dihydro-1,4-benzothiazine-3-carboxylate C12H13N2O5S -1 ACUWXAUSGNGBKQ-RNFRBKRXSA-M 02/07/2014 Miscellaneous CE5274 3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine C11H14N2O4S 0 SPQSSVXRGGWWIP-VJSCVCEBSA-N 02/07/2014 Miscellaneous CE5276 dopamine o-quinone C8H10NO2 1 C17755 162602 PQPXZWUZIOASKS-UHFFFAOYSA-O HMDB12219 02/07/2014 Tyrosine metabolism CE5277 aminochrome o-semiquinone C8H8NO2 0 SUOKBNMHVMNQDG-UHFFFAOYSA-N HMDB0060279 02/07/2014 Tyrosine metabolism CE5278 dopachrome o-semiquinone C9H6NO4 -2 53481550 YHAPBGUGQAHLME-ZCFIWIBFSA-L HMDB12931 02/07/2014 Tyrosine metabolism CE5304 15-deoxy-PGD2 C20H29O4 0 5283052 QUGBPWLPAUHDTI-PLGLXCLHSA-N HMDB0062298 02/07/2014 Eicosanoid metabolism CE5305 3(S),6(R)-dihydroxy-tetradec-8Z-enoate C14H25O4 -1 OUPAWBIIPPCTBK-BAGCDHRJSA-M 02/07/2014 Fatty acid oxidation CE5306 3(S),8(R)-dihydroxy-6E,10Z-hexadecadienoate C16H27O4 -1 XUYMRSHCNSDJAN-OOOKLALXSA-M 02/07/2014 Fatty acid oxidation CE5307 3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoate C18H27O4 -1 DASVGFACDRAZQR-GIXDFHNZSA-M 02/07/2014 Eicosanoid metabolism CE5308 3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate C14H23O4 -1 JVEAMJNRAYIMIF-DGMVEKRQSA-M 02/07/2014 Fatty acid oxidation CE5309 3-oxo-8(R)-hydroxy-hexadeca-6E,10Z-dienoate C16H25O4 -1 NWVJXHCRPZDUPG-OOOKLALXSA-M 02/07/2014 Fatty acid oxidation CE5310 4(R)-hydroxy-dodec-6Z-enoate C12H21O3 -1 CEFZHZYOVDYOOX-ZADCQDASSA-M 02/07/2014 Fatty acid oxidation CE5311 6(R)-hydroxy-tetradeca-2E,4E,8Z-trienoate C14H21O3 -1 QUFPURXOBLGZGX-WOIQIYMZSA-M 02/07/2014 Fatty acid oxidation CE5312 6(R)-hydroxy-tetradeca-2E,8Z-dienoate C14H23O3 -1 VQWQOPHSYMUQTK-OWXLQUNNSA-M 02/07/2014 Fatty acid oxidation CE5313 6(R)-hydroxy-tetradeca-4E,8Z-dienoate C14H23O3 -1 YUXIINYOKQBAER-BQGCWICQSA-M 02/07/2014 Fatty acid oxidation CE5314 8(R)-hydroxy-hexadeca-2E,4E,6E,10Z-tetraenoate C16H23O3 -1 TVMLJOGNECRAAY-MOGWUJDVSA-M 02/07/2014 Fatty acid oxidation CE5315 8(R)-hydroxy-hexadeca-2E,6E,10Z-trienoate C16H25O3 -1 IJVWUUQYBXXWDO-NSFVLYLPSA-M 02/07/2014 Fatty acid oxidation CE5316 8(R)-hydroxy-hexadeca-4E,6E,10Z-trienoate C16H25O3 -1 6610221 KBOVKDIBOBQLRS-OAHLLOKOSA-M 02/07/2014 Fatty acid oxidation CE5317 3(S),6(S)-dihydroxy-tetradec-8Z-enoate C14H25O4 -1 OUPAWBIIPPCTBK-SREVYHEPSA-M 02/07/2014 Fatty acid oxidation CE5318 3(S),8(S)-dihydroxy-6E,10Z-hexadecadienoate C16H27O4 -1 XUYMRSHCNSDJAN-IIQWCFDOSA-M 02/07/2014 Fatty acid oxidation CE5319 3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoate C18H27O4 -1 DASVGFACDRAZQR-JFFUZHLISA-M 02/07/2014 Eicosanoid metabolism CE5320 3-oxo-6(S)-hydroxy-tetradec-8Z-enoate C14H23O4 -1 JVEAMJNRAYIMIF-SREVYHEPSA-M 02/07/2014 Fatty acid oxidation CE5321 3-oxo-8(S)-hydroxy-hexadeca-6E,10Z-dienoate C16H25O4 -1 NWVJXHCRPZDUPG-NPSBZYNESA-M 02/07/2014 Fatty acid oxidation CE5322 4(S)-hydroxy-dodec-6Z-enoate C12H21O3 -1 CEFZHZYOVDYOOX-SREVYHEPSA-M 02/07/2014 Fatty acid oxidation CE5323 6(S)-hydroxy-tetradeca-2E,4E,8Z-trienoate C14H21O3 -1 QUFPURXOBLGZGX-XCSFDSRXSA-M 02/07/2014 Fatty acid oxidation CE5324 6(S)-hydroxy-tetradeca-2E,8Z-dienoate C14H23O3 -1 VQWQOPHSYMUQTK-IYNHQRNQSA-M 02/07/2014 Fatty acid oxidation CE5325 6(S)-hydroxy-tetradeca-4E,8Z-dienoate C14H23O3 -1 YUXIINYOKQBAER-YZPANATGSA-M 02/07/2014 Fatty acid oxidation CE5326 8(S)-hydroxy-hexadeca-2E,4E,6E,10Z-tetraenoate C16H23O3 -1 TVMLJOGNECRAAY-AWTGQPBESA-M 02/07/2014 Fatty acid oxidation CE5327 8(S)-hydroxy-hexadeca-2E,6E,10Z-trienoate C16H25O3 -1 IJVWUUQYBXXWDO-JZRBGYMBSA-M 02/07/2014 Fatty acid oxidation CE5328 8(S)-hydroxy-hexadeca-4E,6E-10Z-trienoate C16H25O3 -1 6610221 KBOVKDIBOBQLRS-OAHLLOKOSA-M 02/07/2014 Fatty acid oxidation CE5329 3(S),12(S)-dihydroxy-5-oxo-eicosa-8E,10E,14Z-trienoyl-CoA C41H62N7O20P3S -4 MTOULHSNAKRXGD-SWUWZMOTSA-J 02/07/2014 Eicosanoid metabolism CE5331 3,5-dioxo-12(S)-hydroxy-eicosa-8E,10E,14Z-trienoyl-CoA C41H60N7O20P3S -4 KPSNLEVFRZBSQC-OMVKAVPHSA-J 02/07/2014 Eicosanoid metabolism CE5337 3-oxo-10(S)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA C39H58N7O19P3S -4 SVVDPRGQCCIAMF-RSKBEZANSA-J 02/07/2014 Eicosanoid metabolism CE5341 5-oxo-12(S)-hydroxy-eicosa-2E,8E,10E,14Z-tetraenoyl-CoA C41H60N7O19P3S -4 SCEIHBUXWIZVRQ-PSBMFCTASA-J 02/07/2014 Eicosanoid metabolism CE5342 5-oxo-12(S)-hydroxy-eicosa-8E,10E,14Z-trienoyl-CoA C41H62N7O19P3S -4 SMWLNBURDHTIJO-BGWQBKBRSA-J 02/07/2014 Eicosanoid metabolism CE5343 6,7-dihydro-5-oxo-12-epi-leukotriene B C20H31O4 -1 RUTQOBJLGHUCJC-ATHKOCGESA-M 02/07/2014 Eicosanoid metabolism CE5344 3(S),12(R)-dihydroxy-5-oxo-eicosa-8E,10E,14Z-trienoyl-CoA C41H62N7O20P3S -4 MTOULHSNAKRXGD-YCGRRFPFSA-J 02/07/2014 Eicosanoid metabolism CE5345 3,5-dioxo-12(R)-hydroxy-eicosa-8E,10E,14Z-trienoyl-CoA C41H60N7O20P3S -4 KPSNLEVFRZBSQC-DTYLLQJSSA-J 02/07/2014 Eicosanoid metabolism CE5346 3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA C39H58N7O19P3S -4 SVVDPRGQCCIAMF-SESGPPJXSA-J 02/07/2014 Eicosanoid metabolism CE5347 5-oxo-12(R)-hydroxy-eicosa-2E,8E,10E,14Z-tetraenoyl-CoA C41H60N7O19P3S -4 SCEIHBUXWIZVRQ-DEOJHUTOSA-J 02/07/2014 Eicosanoid metabolism CE5348 5-oxo-12(R)-hydroxy-eicosa-8E,10E,14Z-trienoyl-CoA C41H62N7O19P3S -4 SMWLNBURDHTIJO-JULPYIMCSA-J 02/07/2014 Eicosanoid metabolism CE5349 5-oxo-6E-12-epi-leukotriene B4 C20H29O4 -1 MLZJFLKEKVDNAZ-GOSISDBHSA-M 02/07/2014 Eicosanoid metabolism CE5350 6,7-dihydro-12-epi-LTB4 C20H33O4 -1 53481527 ZMZNVSWCIRFLBV-GRXSAWGRSA-N HMDB0012838 03/01/2017 CE5352 6,7-dihydro-leukotriene B4 C20H33O4 -1 ZMZNVSWCIRFLBV-MOPGFXCFSA-M 02/07/2014 Eicosanoid metabolism CE5456 (R)-2-hydroxy-4-methylpentanoate C6H11O3 -1 C03264 439960 55534 LVRFTAZAXQPQHI-RXMQYKEDSA-M HMDB00624 02/07/2014 Valine, leucine, and isoleucine metabolism CE5525 12-oxo-20-carboxy-leukotriene B4 C20H26O6 -2 53481457 VLMCDTMNMDDMLC-QWSDKYSWSA-L HMDB12550 02/07/2014 Eicosanoid metabolism CE5526 13-oxy radical-octadecadienoate C18H30O3 -1 ZJQRAPFDSKMILQ-CLOOOTJHSA-M 02/07/2014 Linoleate metabolism CE5527 12,13-epoxylinoleic acid radical C18H30O3 -1 02/07/2014 Linoleate metabolism CE5528 12,13-epoxy-9-alkoxy-10E-octadecenoate C18H30O4 -1 02/07/2014 Linoleate metabolism CE5530 7alpha,27-dihydroxycholesterol C27H46O3 0 C06341 440985 18431 RXMHNAKZMGJANZ-DTTSCKGMSA-N HMDB06281 02/07/2014 Bile acid synthesis CE5531 12-oxo-c-LTB3 C30H45N3O10S -2 ZFHPYBQKHVEFHO-AJMWJPAYSA-L 02/07/2014 Eicosanoid metabolism CE5533 9,11-cycloperoxy-15-hydroperoxy-5Z,13E-eicosadienoate C20H31O6 -1 SGUKUZOVHSFKPH-BZZUCWCESA-M 02/07/2014 Eicosanoid metabolism CE5534 9,11-cycloperoxy-5-hydroperoxy-6E,14Z-eicosadienoate C20H31O6 -1 QPLJAGNIJZAPRJ-SPLBVVEISA-M 02/07/2014 Eicosanoid metabolism CE5535 9-peroxy-5Z,7E,11Z,14Z-eicosatetraenoate C20H30O4 -1 LIYCOTUUWOESJK-OIZRIKEUSA-M 02/07/2014 Eicosanoid metabolism CE5536 adrenochrome C9H9NO3 0 5898 838058 RPHLQSHHTJORHI-UHFFFAOYSA-N HMDB12884 02/07/2014 Tyrosine metabolism CE5537 11-peroxy-5Z,8Z,12E,14Z-eicosatetraenoate C20H30O4 -1 PCGWZQXAGFGRTQ-RLZWZWKOSA-M 02/07/2014 Eicosanoid metabolism CE5538 noradrenochrome C8H7NO3 0 10176277 PTQNKGWWIYGAAE-UHFFFAOYSA-N HMDB13030 02/07/2014 Tyrosine metabolism CE5541 adrenochrome o-semiquinone C9H9NO3 -1 10313383 YNKQTALYBHMWCC-UHFFFAOYSA-M HMDB12883 02/07/2014 Tyrosine metabolism CE5542 noradrenochrome o-semiquinone C8H7NO3 -1 53481587 OHRTXTGCGQYCMB-UHFFFAOYSA-M HMDB13029 02/07/2014 Tyrosine metabolism CE5544 5-S-glutathionyl-dopachrome hydroquinone C19H22N4O10S -2 OKIPDFKDQBFUGS-IEBDPFPHSA-L 02/07/2014 Tyrosine metabolism CE5545 5-S-glutathionyl-aminochrome reduced C18H23N4O8S -1 OWLBFEJNNSEXED-GXSJLCMTSA-M 02/07/2014 Tyrosine metabolism CE5546 5-S-glutathionyl-adrenochrome hydroquinone C19H25N4O9S -1 UMHIHIHOPWDCAG-RLBMWQAVSA-M 02/07/2014 Tyrosine metabolism CE5547 5-S-glutathionyl-noradrenochrome hydroquinone C18H23N4O9S -1 XTLRYYYPDRZRCW-HTDYCOQPSA-M 02/07/2014 Tyrosine metabolism CE5560 glycolithocholate C26H42NO4 -1 C15557 115245 37998 HMDB00698 02/07/2014 CE5586 N-[(E)-4-ammoniobutylidene]propane-1,3-diaminium C7H20N3 3 23657850 58732 YAVLYBVKPXLZEQ-UXBLZVDNSA-Q 02/07/2014 Urea cycle CE5588 deoxyhypusine C10H25N3O2 2 122083 50038 PGPFBXMCOQNMJO-VIFPVBQESA-P HMDB11150 02/07/2014 Urea cycle CE5591 4-OH-13-cis-retinal C20H28O2 0 CYVVUYORRQQAQE-FFIIYDNGSA-N 02/07/2014 Vitamin A metabolism CE5592 4-OH-9-cis-retinal C20H28O2 0 CYVVUYORRQQAQE-ZLDMPPPMSA-N 02/07/2014 Vitamin A metabolism CE5593 4-OH-retinal C20H28O2 0 14015984 NCIHLRCJOBKKAL-ZBSJWCJSSA-N HMDB12788 02/07/2014 Vitamin A metabolism CE5594 9,13-cis-retinoate C20H27O2 -1 C00777 6419708 15367 SHGAZHPCJJPHSC-YCNIQYBTSA-M HMDB12874 02/07/2014 Vitamin A metabolism CE5626 salsolinol 1-carboxylate C11H13NO4 0 7055179 XHGLVMDBZZZXDP-NSHDSACASA-N HMDB0013068 02/07/2014 Tyrosine metabolism CE5627 salsoline-1-carboxylate C12H15NO4 0 6999659 CJEFWISJWQNPSZ-GFCCVEGCSA-N HMDB0013067 02/07/2014 Tyrosine metabolism CE5629 1,2-dehydrosalsolinol C10H11NO2 0 193796 DWHSGRLKLUGKOU-UHFFFAOYSA-N HMDB0012490 02/07/2014 Tyrosine metabolism CE5643 peroxynitrite NO3 -1 C16845 104806 25941 CMFNMSMUKZHDEY-UHFFFAOYSA-M HMDB02179 02/07/2014 Vitamin E metabolism CE5652 4-Oxo-9-Cis-Retinal C20H26O2 0 PLILDISEFZJECC-ZLDMPPPMSA-N 03/01/2017 CE5653 4-oxo-9-cis-retinoate C20H25O3 -1 54518673 YOFBBAJVETYSCH-UHFFFAOYSA-M 02/07/2014 Vitamin A metabolism CE5654 4-oxo-13-cis-retinoate C20H25O3 -1 9995780 YOFBBAJVETYSCH-IWRFDTMXSA-M HMDB12789 02/07/2014 Vitamin A metabolism CE5655 13-hydroxy-gama-tocopherol C28H48O3 0 53481467 QNBPVJMQPAQXML-SLGTZZLGSA-N HMDB0012561 02/07/2014 Vitamin E metabolism CE5656 lipoyl-AMP(1-) C18H25N5O8PS2 -1 C16238 23724672 55451 QWEGOCJRZOKSOE-NLJBGGCZSA-M HMDB0059635 02/07/2014 Lipoate metabolism CE5661 15-oxo-lipoxin A4 C20H29O5 -1 53481477 KMQGFEBCBYXSPZ-DVABOXBSSA-M HMDB12590 02/07/2014 Arachidonic acid metabolism CE5662 13,14-dihydro-15-oxo-lipoxin A4 C20H31O5 -1 53481470 FPRPRBFSKMFXRV-HJGGDGFVSA-M HMDB12564 02/07/2014 Arachidonic acid metabolism CE5663 13,14-Dihydro-Lipoxin A4 C20H33O5 -1 WRFBDEURXXFJRY-ZREXUFMBSA-N 03/01/2017 CE5665 leukoaminochrome C8H9NO2 0 C17756 147311 VGSVNUGKHOVSPK-UHFFFAOYSA-N HMDB0012992 02/07/2014 Miscellaneous CE5698 1,4-benzothiazine-o-quinonimine C12H11N2O5S -1 53481441 NANJICKTJNNTGA-RNFRBKRXSA-M HMDB12491 02/07/2014 Miscellaneous CE5700 12-hydroperoxyeicosatetraenoate glyceryl ester C23H38O6 0 DRKQAMJEQFTELM-NRFANRHFSA-N 02/07/2014 Eicosanoid metabolism CE5708 15-Oxo-Prostaglandin E2-Glyceryl Ester C23H36O7 0 WDMGABUYFVXRQW-WNPNRMLBSA-N 03/01/2017 CE5718 11-Carboxy-gamma-chromanol C25H39O4 -1 53481453 IITULCXNOMOXAH-YYULODDRSA-N HMDB0012517 03/01/2017 CE5719 9-Carboxy-gamma-chromanol C23H35O4 -1 53481536 ODQOKHVJIYTOQE-NXHTTZLHSA-N HMDB0012868 03/01/2017 CE5721 7-Carboxy-gamma-chromanol C20H29O4 -1 53481531 JFXDIXKMINYLIK-ZUOKHONESA-N HMDB0012850 03/01/2017 CE5723 5-Carboxy-gamma-chromanol C18H25O4 -1 53481525 CNGKBUHOCIWLHJ-ADLMAVQZSA-N HMDB0012799 03/01/2017 CE5726 Prostaglandin PGE2 1-glyceryl ester C23H38O7 0 52193688 RJXVYMMSQBYEHN-SDTVLRMPSA-N HMDB0013043 02/07/2014 Eicosanoid metabolism CE5727 Prostaglandin PGE2 3-glyceryl ester C23H38O7 0 RJXVYMMSQBYEHN-KFXKMLOZSA-N 02/07/2014 Eicosanoid metabolism CE5730 Prostaglandin PGB2 glyceryl ester C23H36O6 0 FHFHTYWWDZUGTL-IBGZPJMESA-N 02/07/2014 Eicosanoid metabolism CE5747 N-retinylidene-N-retinylethanolamine C42H58NO 1 WPWFMRDPTDEJJA-FAXVYDRBSA-N HMDB0060196 02/07/2014 Vitamin A metabolism CE5752 iso-A2E(13-cis) C42H58NO 1 WPWFMRDPTDEJJA-HYQJUSHRSA-N HMDB0060193 02/07/2014 Vitamin A metabolism CE5753 iso-A2E(11-cis) C42H58NO 1 WPWFMRDPTDEJJA-ZCSIUCGVSA-N 02/07/2014 Vitamin A metabolism CE5754 iso-A2E(9-cis) C42H58NO 1 WPWFMRDPTDEJJA-XDOBUCMVSA-N 02/07/2014 Vitamin A metabolism CE5755 iso-A2E(9,13-di-cis) C42H58NO 1 WPWFMRDPTDEJJA-DYOYTVSCSA-N HMDB0060195 02/07/2014 Vitamin A metabolism CE5756 9-cis-retinoyl-beta-D-glucuronide C26H35O8 -1 C11061 5281877 28870 MTGFYEHKPMOVNE-JZXLACIESA-M HMDB03141 02/07/2014 Vitamin A metabolism CE5757 4-oxo-9-cis-retinoyl-beta-glucuronide C26H33O9 -1 XEIKLAKHCVSUMR-JXZJCBHFSA-M 02/07/2014 Vitamin A metabolism CE5775 iso-A2E(9-cis) C42H58NO 1 WPWFMRDPTDEJJA-UHFFFAOYSA-N 02/07/2014 Vitamin A metabolism CE5776 iso-A2E(11-cis) C42H58NO 1 WPWFMRDPTDEJJA-UHFFFAOYSA-N 02/07/2014 Vitamin A metabolism CE5782 Somatostatin C77H108N18O19S2 2 44291156 64628 NHXLMOGPVYXJNR-FMGBKAQLSA-N 02/07/2014 Miscellaneous CE5783 Somatostatin fragment 3-14 C72H100N16O17S2 2 53481604 TZTLCJNYBHBVBN-DZCACUQDSA-P HMDB13071 02/07/2014 Miscellaneous CE5786 kinetensin C56H87N17O11 2 147043 PANUJGMSOSQAAY-HAGIGRARSA-P HMDB12988 02/07/2014 Miscellaneous CE5787 kinetensin 1-3 C15H31N6O4 1 53481564 JXUGDUWBMKIJDC-MMWGEVLESA-O HMDB12983 02/07/2014 Miscellaneous CE5788 kinetensin 1-7 C41H67N15O9 2 53481565 QMQIVQMAYCBWNH-BKRGGBFWSA-P HMDB12984 02/07/2014 Miscellaneous CE5789 kinetensin 1-8 C50H76N16O10 2 53481566 KLNGALQMFAURPH-DCLZXSHISA-P HMDB12985 02/07/2014 Miscellaneous CE5791 kinetensin 4-8 C35H47N10O7 1 53481568 CCANVONJZOLPKG-MJXUZWQSSA-O HMDB12987 02/07/2014 Miscellaneous CE5794 neuromedin B C52H74N15O12S 1 53481579 YPFNACALNKVZNK-ICQOWDAWSA-O HMDB13018 02/07/2014 Miscellaneous CE5795 neuromedin B (1-3) C12H22N4O5 0 53481577 JVWPPCWUDRJGAE-JGVFFNPUSA-N HMDB0013016 02/07/2014 Miscellaneous CE5796 neuromedin B (4-10) C40H54N11O8S 1 53481578 MVOFLIKDVHKCBK-FVNKCRITSA-O HMDB13017 02/07/2014 Miscellaneous CE5797 neuromedin N C32H51N5O7 0 53481583 NSLIVCMCAULZET-WFJLUAAKSA-N HMDB0013022 02/07/2014 Miscellaneous CE5798 neuromedin N (1-4) C26H40N4O6 0 53481582 SKGLAZSLOGYCCA-PEFXOJROSA-N HMDB0013021 02/07/2014 Miscellaneous CE5799 Glycinamide C2H7N2O 1 BEBCJVAWIBVWNZ-UHFFFAOYSA-N 03/01/2017 CE5800 Oxytocin-1-8 X 0 03/01/2017 CE5815 20-hydroxy-5S-HETE C20H31O4 -1 IWYJGYZCHKEPCK-IBGZPJMESA-M 02/07/2014 Arachidonic acid metabolism CE5820 histidyl-prolinamide C11H18N5O2 1 BVQMQRWLLWQCLL-IENPIDJESA-O 02/07/2014 Miscellaneous CE5828 5,9,11-trihydroxyprosta-6E,14Z-dien-1-oate C20H33O5 -1 RZCPXIZGLPAGEV-BKWJPWGNSA-M 02/07/2014 Eicosanoid metabolism CE5829 5-HT-moduline C18H34N4O6 0 IMIVWAUMTAIVPJ-MQYQWHSLSA-N 02/07/2014 Miscellaneous CE5835 8alpha-hydroxytocopherone C29H50O3 0 RGHRSULFYHBXJZ-CBKONRTBSA-N 02/07/2014 Vitamin E metabolism CE5837 7,8-epoxy-8alpha-hydroperoxytocopherone C29H50O5 0 VVOOFISPFGUBEC-ILCUQXGXSA-N 02/07/2014 Vitamin E metabolism CE5838 5,6-epoxy-alpha-tocopheryl quinone C29H50O4 0 XKMXNXGDIBTSKJ-MSJFMHLMSA-N 02/07/2014 Vitamin E metabolism CE5839 4alpha,5-epoxy-8alpha-hydroperoxytocopherone C29H50O5 0 FTDAVYLKBDZWCU-DGCSJVOTSA-N 02/07/2014 Vitamin E metabolism CE5840 2,3-epoxy-alpha-tocopheryl quinone C29H50O4 0 HVYBSPVYLDVWGS-MSJFMHLMSA-N 02/07/2014 Vitamin E metabolism CE5842 13-hydroxy-alpha-tocopherol C29H50O3 0 53481465 URYLCCKXLNXSRS-XIRVVSDESA-N HMDB0012559 02/07/2014 Vitamin E metabolism CE5843 13-carboxy-alpha-tocopherol C29H47O4 -1 53481461 NJIUWSABAIXPGI-AXTKCOKSSA-M HMDB12555 02/07/2014 Vitamin E metabolism CE5844 7-Carboxy-alpha-chromanol C21H31O4 -1 53481529 RXYXCDMLSTZSRY-QUXALOBESA-N HMDB0012848 03/01/2017 CE5845 5-Carboxy-Alpha-Chromanol C19H27O4 -1 QWPNLVBAEZJBMI-IMFVZPHKSA-M 03/01/2017 CE5846 11-Carboxy-gamma-tocotrienol C25H35O4 -1 53481454 QRIWRFHSVDRBRJ-LNRRRGPJSA-N HMDB0012518 03/01/2017 CE5847 9-Carboxy-gamma-tocotrienol C23H31O4 -1 53481537 QSRURDPJEKTSFH-ODPFLYRHSA-N HMDB0012869 03/01/2017 CE5848 7-Carboxy-gamma-tocotrienol C20H27O4 -1 53481532 NECINJBBPZOJSN-QARGNGGGSA-N HMDB0012851 03/01/2017 CE5849 7-Carboxy-alpha-tocotrienol C21H29O4 -1 53481530 UZOSSXSASNQFOI-FAKWYAOSSA-N HMDB0012849 03/01/2017 CE5850 11-Carboxy-alpha-tocotrienol C26H37O4 -1 53481452 LAVCYAUSHCEKED-KYVGBUAPSA-N HMDB0012516 03/01/2017 CE5851 9-Carboxy-alpha-tocotrienol C24H33O4 -1 53481535 MEZYOZBFEXYIKB-ASKDMKCJSA-N HMDB0012867 03/01/2017 CE5853 alpha-CEHC-glucuronide C22H29O10 -1 ZYZYJRHWJQUARI-DRLIGIOESA-M 02/07/2014 Miscellaneous CE5854 gama-CEHC-glucuronide C21H27O10 -1 WUOKWMDSDKXAQY-PKENLYCVSA-M 02/07/2014 Miscellaneous CE5855 11-Carboxy-alpha-chromanol C26H41O4 -1 53481451 FKTCHXAVPYGOSM-CUAXAMRHSA-N HMDB0012515 03/01/2017 CE5856 9-Carboxy-alpha-chromanol C24H37O4 -1 53481534 CUGVBZDXUTZXJO-GCIQOJCMSA-N HMDB0012866 03/01/2017 CE5860 N-acetyl-5-methoxykynuramine C12H16N2O3 0 390658 RJQIZOKNUKRKTP-UHFFFAOYSA-N HMDB0062497 02/07/2014 Tryptophan metabolism CE5865 L-leucyl-L-serine C9H18N2O4 0 40489070 XGDCYUQSFDQISZ-RQJHMYQMSA-N 02/07/2014 Miscellaneous CE5866 L-alanyl-L-leucine C9H18N2O3 0 6992388 RDIKFPRVLJLMER-RQJHMYQMSA-N 02/07/2014 Miscellaneous CE5867 N-acetyl-seryl-aspartyl-lysyl-proline C20H32N5O9 -1 14181658 HJDRXEQUFWLOGJ-XGUBFFRZSA-M 02/07/2014 Miscellaneous CE5868 N-acetyl-seryl-aspartate C9H12N2O7 -2 GFPWFSOXDSNMDC-RITPCOANSA-L 02/07/2014 Miscellaneous CE5869 lysyl-proline C11H22N3O3 1 AIXUQKMMBQJZCU-UHFFFAOYSA-O 02/07/2014 Miscellaneous CE5875 2-methylglutaconyl-CoA C27H37N7O19P3S -5 CDVNWVJDESFYAB-OSLWTUCKSA-I 02/07/2014 Valine, leucine, and isoleucine metabolism CE5898 pentyl radical C5H11 0 123167 BFKVXNPJXXJUGQ-UHFFFAOYSA-N 02/07/2014 Linoleate metabolism CE5899 Hydroxyl Radical X 0 03/01/2017 CE5920 13-oxo-9Z,11E-tridecadienoate C13H19O3 -1 54469261 XHDHWGKEDVWKAN-UHFFFAOYSA-M 02/07/2014 Linoleate metabolism CE5921 octanoate radical C8H15O2 0 SZEXAAJOCGUGDC-UHFFFAOYSA-N 02/07/2014 Linoleate metabolism CE5922 12,13-epoxy-9-hydroperoxy-10E-octadecenoate C18H31O5 -1 SZMWZFAMDRNPCL-BUHFOSPRSA-M 02/07/2014 Linoleate metabolism CE5924 9,11,15-trihydroxyprosta-5Z,13E-dien-1-oate C20H33O5 -1 C00639 5283078 15553 PXGPLTODNUVGFL-YNNPMVKQSA-M HMDB01139 02/07/2014 Eicosanoid metabolism CE5925 12-peroxy-5Z,8Z,10E,14Z-eicosatetraenoate C20H30O4 -1 ZIOZYRSDNLNNNJ-GIDGYGAVSA-M 02/07/2014 Eicosanoid metabolism CE5926 11,15-cyclo-12,14-cycloperoxy-8-hydroperoxy-5Z,9E-eicosadienoic C20H31O6 -1 IWMASUQIBFLUFD-HHDBOTMESA-M 02/07/2014 Eicosanoid metabolism CE5928 8-peroxy-5Z,9E,11Z,14Z-eicosatetraenoate C20H30O4 -1 QQUFCXFFOZDXLA-HEJOTXCHSA-M 02/07/2014 Eicosanoid metabolism CE5929 11,15-cyclo-8,12,14-trihydroxy-(5Z,9E)-eicosadienoic acid C20H33O5 -1 MZYZWZXTHYCVHQ-HHDBOTMESA-M 02/07/2014 Eicosanoid metabolism CE5930 5,9-cyclo-6,8-cycloperoxy-12-hydroperoxy-(10E,14Z)-eicosadienoic acid C20H31O6 -1 KKEUQYWFAZBZHT-AJCGPCGUSA-M 02/07/2014 Eicosanoid metabolism CE5931 5,9-cyclo-6,8,12-trihydroxy-(10E,14Z)-eicosadienoic acid C20H33O5 -1 ZOCFIYOANZRNDX-AJCGPCGUSA-M 02/07/2014 Eicosanoid metabolism CE5932 13,14-epoxy-retinol C20H30O2 0 HQOAEUUDHIWDFP-HYGPETPISA-N 02/07/2014 Vitamin A metabolism CE5934 3(R)-hydroxy-pristanoyl-CoA C40H68N7O18P3S -4 OQWHTSXXBMVROE-DAVMWLSNSA-J 02/07/2014 Fatty acid oxidation CE5935 (2S,6R,10R)-trimethyl-hendecanoyl-CoA C35H58N7O17P3S -4 53481419 QCNISQOYPUIJJO-GUQQFEKDSA-J HMDB0012471 02/07/2014 Fatty acid oxidation CE5936 (2R,6R,10R)-trimethyl-hendecanoyl-CoA C35H58N7O17P3S -4 QCNISQOYPUIJJO-JDIHXJMWSA-J 02/07/2014 Fatty acid oxidation CE5938 (4R,8R,12R)-trimethyl-2E-tridecenoyl-CoA C37H60N7O17P3S -4 53481434 XDRCVDXWYZRMDN-BFEXNXLWSA-J HMDB0012480 02/07/2014 Fatty acid oxidation CE5939 3-oxo-(4R,8R,12R)-trimethyl-tridecanoyl-CoA C37H60N7O18P3S -4 KWSORACHQGPYFT-GVFMIWBJSA-J 02/07/2014 Fatty acid oxidation CE5940 3(R)-hydroxy-(4R,8R,12R)-trimethyl-tridecanoyl-CoA C37H62N7O18P3S -4 QPPLWJJYCYBSDD-BFZWXXFQSA-J 02/07/2014 Fatty acid oxidation CE5941 (2S,6R,10R)-trimethyl-2E-hendecenoyl-CoA C35H56N7O17P3S -4 53481417 IBMCVYHEOHFMLP-SDDAOAITSA-J HMDB0012470 02/07/2014 Fatty acid oxidation CE5942 3-oxo-(2S,6R,10R)-trimethyl-hendecanoyl-CoA C35H56N7O18P3S -4 PNNFJGGYIRMCJJ-XVQMUYSRSA-J 02/07/2014 Fatty acid oxidation CE5943 3(R)-hydroxy-(2S,6R,10)-trimethyl-hendecanoyl-CoA C35H58N7O18P3S -4 ZCRMZTYAHRWKNW-ZOVKUSNZSA-J 02/07/2014 Fatty acid oxidation CE5944 10,11-dihydro-12-oxo-LTB4 C20H31O4 -1 53481445 AHHXLFNPCWCNQF-XPZOMPGTSA-M HMDB12498 02/07/2014 Eicosanoid metabolism CE5945 10,11-dihydro-20-dihydroxy-LTB4 C20H33O6 -1 53481447 BZDHSIPNZCHPKA-FLFMSFBESA-M HMDB12502 02/07/2014 Eicosanoid metabolism CE5946 10,11-dihydro-20-trihydroxy-leukotriene B4 C20H33O7 -1 53481448 LSVHZFZMMXHHBS-MNBASXMYSA-M HMDB12503 02/07/2014 Eicosanoid metabolism CE5947 20-COOH-10,11-dihydro-LTB4 C20H30O6 -2 53481507 BCZGHMCTSJAJRR-FLFMSFBESA-L HMDB12633 02/07/2014 Eicosanoid metabolism CE5956 trans,trans,cis-geranyl-geranyl-PP C20H33O7P2 -3 735 OINNEUNVOZHBOX-UHFFFAOYSA-K 02/07/2014 Cholesterol metabolism CE5966 3-oxo-5(S),12(R)-dihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA C41H62N7O20P3S -4 KRKBEAQJNHSWAF-QBJCXFJNSA-J 02/07/2014 Eicosanoid metabolism CE5967 3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA C39H60N7O19P3S -4 NWGGHDWYXJUVMO-JXVKLPEWSA-J 02/07/2014 Eicosanoid metabolism CE5968 3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoate C18H29O4 -1 YACBGVCITKQKQT-UWZQYSLKSA-M 02/07/2014 Eicosanoid metabolism CE5969 10,11-dihydro-LTB4-CoA C41H64N7O19P3S -4 ZYYSFSZTRFQEDO-JHEHLVRRSA-J 02/07/2014 Eicosanoid metabolism CE5970 5(S),12(R)-dihydroxy-eicosa-2,8-trans-6,14-cis-tetraenoyl-CoA C41H62N7O19P3S -4 AYYISPCMVSHNTF-LKHKBAEFSA-J 02/07/2014 Eicosanoid metabolism CE5971 3(S),5(S),12(R)-trihydroxy-eicosa-8-trans-6,14-cis-trienoyl-CoA C41H64N7O20P3S -4 QRICRRFWADTSRS-GRPBHSQZSA-J 02/07/2014 Eicosanoid metabolism CE5976 12-oxo-10,11-dihydro-20-COOH-LTB4 C20H28O6 -2 53481456 RYMSXFPLTLWXCK-QPXPKGDFSA-L HMDB12549 02/07/2014 Eicosanoid metabolism CE5982 melatonin radical C13H17N2O3 0 SQNQBXWYHXYLQX-UHFFFAOYSA-N 02/07/2014 Tryptophan metabolism CE5986 5-nitro-gama-tocopherol C28H47NO4 0 CVEXLLWUKIIJNZ-YHGPEZAFSA-N 02/07/2014 Vitamin E metabolism CE5994 20-oxo-leukotriene E4 C23H34NO6S -1 53481512 DXFWBOQUFGDWDP-HEZGWBLQSA-M HMDB12642 02/07/2014 Eicosanoid metabolism CE5995 20-COOH-leukotriene E4 C23H33NO7S -2 53481508 HVLRBLGTGJGVCX-RHSCJZQUSA-L HMDB12634 02/07/2014 Eicosanoid metabolism CE6000 nitrosoperoxycarbonate CNO5 -1 53356689 62750 KSZMOTXUZYNGAZ-UHFFFAOYSA-M HMDB0062504 02/07/2014 Vitamin E metabolism CE6027 24,25,26,27-tetranor-23-oxo-hydroxyvitamin D3 C23H34O3 0 AOVGFTJYESGAEA-CJEYCIBDSA-N 02/07/2014 Vitamin D metabolism CE6031 androsterone sulfate C19H29O5S -1 C04555 159663 16814 ZMITXKRGXGRMKS-HLUDHZFRSA-M HMDB02759 02/07/2014 Androgen and estrogen synthesis and metabolism CE6182 20-CoA-20-oxo-leukotriene B4 C41H59N7O21P3S -5 53481505 WLWKYZHFLKRKEU-YZXLORRJSA-I HMDB12632 02/07/2014 Eicosanoid metabolism CE6183 18,20-dioxo-20-CoA-leukotriene B4 C41H57N7O22P3S -5 53481487 MWWKFDDOIUOYAX-RLUNETQTSA-I HMDB12606 02/07/2014 Eicosanoid metabolism CE6184 18-CoA-18-oxo-dinorleukotriene B4 C39H55N7O21P3S -5 53481490 CQLBXHGTJMWNLT-GCOKCPSWSA-I HMDB12608 02/07/2014 Eicosanoid metabolism CE6185 omega-carboxy-trinor-leukotriene B4 C18H24O6 -2 53481589 XWRIIHRGMKHPHN-CESFWYKVSA-L HMDB13032 02/07/2014 Eicosanoid metabolism CE6186 18E-20-oxo-20-CoA-LTB4 C41H57N7O21P3S -5 PBPMTFAECBJRFW-FGTOBGTISA-I HMDB12609 02/07/2014 Eicosanoid metabolism CE6187 20-CoA-20-oxo-18R-hydroxyleucotriene B4 C41H59N7O22P3S -5 JFQGNCZAHDITHX-GQKJEJTLSA-I HMDB12631 02/07/2014 Eicosanoid metabolism CE6188 CoA-omega-COOH-dinor-LTE4 C42H60N8O22P3S2 -5 QFIFJHIRXMCJMO-GVVKVPPWSA-I HMDB12914 02/07/2014 Eicosanoid metabolism CE6189 CoA-20-COOH-18-oxo-LTE4 C44H62N8O23P3S2 -5 53481542 HSPIWFCPBFIZFA-YXOUQQAOSA-I HMDB12912 02/07/2014 Eicosanoid metabolism CE6190 CoA-20-COOH-LTE4 C44H64N8O22P3S2 -5 KONKGRIDBYMNKG-GDFCCANPSA-I HMDB12913 02/07/2014 Eicosanoid metabolism CE6191 18E-20-oxo-20-CoA-LTE4 C44H62N8O22P3S2 -5 53481494 KBFUWUDFICVJDA-PEEYKSPMSA-I HMDB12610 02/07/2014 Eicosanoid metabolism CE6192 18(R)-hydroxy-20-oxo-20-CoA-LTE4 C44H64N8O23P3S2 -5 LTGUFAUPEHDXRQ-CPUJWCLISA-I HMDB12605 02/07/2014 Eicosanoid metabolism CE6193 18-carboxy-dinor-LTE4 C21H29NO7S -2 53481489 OXCSBZDIZXLXRX-VUUAMBQASA-L HMDB12607 02/07/2014 Eicosanoid metabolism CE6195 Omega-Cooh-Tetranor-Leukotriene E3 Coenzyme A X 0 03/01/2017 CE6197 Omega-Cooh-Tetranor-Leukotriene E3 C19H26NO7S -3 LDJCPGIDJQSRGG-PBKKLUOHSA-K 03/01/2017 CE6198 16,18-oxo-18-CoA-dinor-LTE4 C42H60N8O23P3S2 -5 53481480 IPTNGKBINTWILB-MOGVCQQGSA-I HMDB12594 02/07/2014 Eicosanoid metabolism CE6204 CoA-18-COOH-16E-dinor-LTE5 C42H58N8O22P3S2 -5 GUAGWAIMNAPYFO-XEKBFFPISA-I 02/07/2014 Eicosanoid metabolism CE6205 5-methoxytryptophol C11H13NO2 0 12835 114833 QLWKTGDEPLRFAT-UHFFFAOYSA-N HMDB01896 02/07/2014 Tryptophan metabolism CE6219 gama-tocopheryl quinone C28H48O3 0 XEXGHDCZBILZDD-VPYPWEPUSA-N 02/07/2014 Vitamin E metabolism CE6225 16E-18-oxo-18-CoA-dinor-LTE4 C42H60N8O22P3S2 -5 53481482 UNMYUSONOSUPAJ-WCKJHTGZSA-I HMDB12597 02/07/2014 Eicosanoid metabolism CE6226 16(S)-hydroxy-18-oxo-18-CoA-LTE4 C42H62N8O23P3S2 -5 53481478 APLMMNVXTIRDHJ-REUWABMHSA-I HMDB12593 02/07/2014 Eicosanoid metabolism CE6227 CoA-18-COOH-15E-dinor-LTE4 C42H60N8O22P3S2 -5 ANLFIWCXIHNIAL-CAIMCJOESA-I HMDB12911 02/07/2014 Eicosanoid metabolism CE6228 13E-tetranor-16-oxo-16-CoA-LTE4 C40H56N8O22P3S2 -5 53481473 FSCROZZUFXOEMF-KIKALQEQSA-I HMDB12576 02/07/2014 Eicosanoid metabolism CE6229 13E-tetranor-16-carboxy-LTE4 C19H25NO7S -2 53481472 MAFGRSDWXFSHMK-CSSXUZKFSA-L HMDB12575 02/07/2014 Eicosanoid metabolism CE6230 15-hydroperoxyeicosa-8Z,11Z,13E-trienoate C20H33O4 -1 53936694 IUXBNSNRPLXHER-UHFFFAOYSA-M 02/07/2014 Eicosanoid metabolism CE6232 prostaglandin G1 C20H33O6 -1 53481591 QXCRWNZYEVOQMB-NDWDMBLISA-M HMDB13039 02/07/2014 Eicosanoid metabolism CE6234 prostaglandin H1 C20H33O5 -1 5283048 NTAYABHEVAQSJS-NDWDMBLISA-M HMDB13041 02/07/2014 Eicosanoid metabolism CE6235 S-(PGA2)-glutathione C30H45N3O10S -2 53481602 XUKIKVBUXFVHNV-MFAQWRDPSA-L HMDB13062 02/07/2014 Eicosanoid metabolism CE6240 9-deoxy-delta12-PGD2 C20H31O4 -1 JTEYGOLPGOYFJI-GJGHEGAFSA-M 02/07/2014 Eicosanoid metabolism CE6241 S-(9-deoxy-delta12-PGD2)-glutathione C30H47N3O10S -2 53481597 FRARAXHWXSZZOK-JXVDKITNSA-L HMDB13057 02/07/2014 Eicosanoid metabolism CE6242 S-(PGJ2)-glutathione C30H45N3O10S -2 53481603 RJCPXHXLCWWGHO-APFRPCTBSA-L HMDB13063 02/07/2014 Eicosanoid metabolism CE6243 S-(9-deoxy-delta9,12-PGD2)-glutathione C30H45N3O10S -2 53481598 RPHLHZIDWIFTII-RJQMMLODSA-L HMDB13058 02/07/2014 Eicosanoid metabolism CE6244 S-(11-hydroxy-9-deoxy-delta12-PGD2)-glutathione C30H49N3O10S -2 53481595 BVYNXGKKWADCHD-RXULBTIMSA-L HMDB13055 02/07/2014 Eicosanoid metabolism CE6245 S-(11-OH-9-deoxy-delta9,12-PGD2)-glutathione C30H47N3O10S -2 53481596 QZWLKAYYUQXKSI-KBQILROESA-L HMDB13056 02/07/2014 Eicosanoid metabolism CE6246 5,12-Dihydroxy-6,8,10,14-Eicosatetraenoic Acid C20H31O4 -1 VNYSSYRCGWBHLG-XUOUMLBJSA-N 03/01/2017 CE6247 5,12,20-TriHETE C20H31O5 -1 C04853 1589 15646 PTJFJXLGRSTECQ-XVPSUHAQSA-M HMDB01509 02/07/2014 Arachidonic acid metabolism CE6248 20-OH-hepoxilin A3 C20H31O5 -1 LZVJZZFRMLGREZ-YTYFACEESA-M 02/07/2014 Arachidonic acid metabolism CE6250 hepoxilin A3-C C30H47N3O10S -2 JHBHHPKTNQAMGQ-VCQCUTDLSA-L 02/07/2014 Arachidonic acid metabolism CE6251 12,20-DiHETE C20H31O4 -1 1412 NUPDGIJXOAHJRW-UHFFFAOYSA-M 02/07/2014 Arachidonic acid metabolism CE6252 urate radical C5H3N4O3 0 RKXSGLUFSIPOGU-UHFFFAOYSA-N HMDB0060260 02/07/2014 Purine catabolism CE6316 N,N-dimethyldopaminequinone C10H14NO2 1 CAXSHNNFXNMBRA-UHFFFAOYSA-O 02/07/2014 Tyrosine metabolism CE6317 N,N-dimethylindoliumolate C10H12NO2 1 AVORYUIJMLOMPW-UHFFFAOYSA-N HMDB0060063 02/07/2014 Tyrosine metabolism CE6415 11-HpODE C18H31O4 -1 C07338 5230520 15657 PLWDMWAXENHPLY-PDBSFCERSA-M 02/07/2014 Linoleate metabolism CE6420 8-peroxy-docosahexaenoate C22H30O4 -1 JYWFAQGZPPWWNO-WAPUOTHPSA-M 02/07/2014 Miscellaneous CE6423 11-peroxy-docosahexaenoate C22H30O4 -1 02/07/2014 Miscellaneous CE6426 7-peroxy-docosahexaenoate C22H30O4 -1 CMMXCXYELCIFAY-BTESRZPBSA-M 02/07/2014 Miscellaneous CE6429 14-peroxy-docosahexaenoate C22H30O4 -1 02/07/2014 Miscellaneous CE6432 10-peroxy-docosahexaenoate C22H30O4 -1 XSDWCNJXFDZWQX-JTRPFQNHSA-M 02/07/2014 Miscellaneous CE6435 17-peroxy-docosahexaenoate C22H30O4 -1 BNHQALRBDJVUQB-NGJSVXFXSA-M 02/07/2014 Miscellaneous CE6438 16-peroxy-docosahexaenoate C22H30O4 -1 CKZSGIYGQCNFBU-YCKILXMLSA-M 02/07/2014 Miscellaneous CE6444 4-hydroperoxy-H4-neuroprostane C22H31O6 -1 HFFDJQRQJYSADX-WTKMUSTRSA-M 02/07/2014 Miscellaneous CE6445 7-hydroperoxy-H4-neuroprostane C22H31O6 -1 OBPXZABJSFSQDQ-XISAZSAISA-M 02/07/2014 Miscellaneous CE6446 11-hydroperoxy-H4-neuroprostane C22H31O6 -1 KTZHAQYYTVLGSR-UEVYIUMPSA-M 02/07/2014 Miscellaneous CE6447 10-hydroperoxy-H4-neuroprostane C22H31O6 -1 QMVMCSYNPSQOII-FNLAZEKKSA-M 02/07/2014 Miscellaneous CE6448 14-hydroperoxy-H4-neuroprostane C22H31O6 -1 RVZZVMGFWWGKMA-GZFUOBBCSA-M 02/07/2014 Miscellaneous CE6449 13-hydroperoxy-H4-neuroprostane C22H31O6 -1 MEVBPAJZOYZPMH-BTXLTSGLSA-M 02/07/2014 Miscellaneous CE6450 17-hydroperoxy-H4-neuroprostane C22H31O6 -1 XSYYKXJCJWVDMD-NWSONEAJSA-M 02/07/2014 Miscellaneous CE6451 20-hydroperoxy-H4-neuroprostane C22H31O6 -1 YPAIJQRSSHCPIA-KABLMVHISA-M 02/07/2014 Miscellaneous CE6452 4-hydroxy-E4-neuroprostane C22H31O5 -1 RIVCEGQLJFEWTQ-IXVWXJQMSA-M 02/07/2014 Miscellaneous CE6453 4-hydroxy-D4-neuroprostane C22H31O5 -1 53481519 IDXBOXWUWDDSSX-GSPMAKDWSA-M HMDB12777 02/07/2014 Miscellaneous CE6454 7-hydroxy-E4-neuroprostane C22H31O5 -1 KSUMVDZATHWLCP-NVWUASKMSA-M 02/07/2014 Miscellaneous CE6455 7-hydroxy-D4-neuroprostane C22H31O5 -1 53481533 MBWYKQQOOVDDJT-UGCWMZKCSA-M HMDB12855 02/07/2014 Miscellaneous CE6456 11-hydroxy-E4-neuroprostane C22H31O5 -1 SNNNEKANAIMPFW-IIEKJZTOSA-M 02/07/2014 Miscellaneous CE6457 11-hydroxy-D4-neuroprostane C22H31O5 -1 LFXPXGFITAKPQF-QLRCFABCSA-M 02/07/2014 Miscellaneous CE6458 10-hydroxy-E4-neuroprostane C22H31O5 -1 IFQRUHXGXJVRNV-MFVHNDNCSA-M 02/07/2014 Miscellaneous CE6459 10-hydroxy-D4-neuroprostane C22H31O5 -1 HKRPDTDZWZZKNW-ZJZSSWNCSA-M 02/07/2014 Miscellaneous CE6460 14-hydroxy-E4-neuroprostane C22H31O5 -1 53481475 BCQOUZGZSCCQCM-YOQRWUOZSA-M HMDB12580 02/07/2014 Miscellaneous CE6461 14-hydroxy-D4-neuroprostane C22H31O5 -1 QDNLJXBCTCRCRZ-ANESGMCMSA-M 02/07/2014 Miscellaneous CE6462 13-hydroxy-E4-neuroprostane C22H31O5 -1 AYIWIGDPZXRNNR-ZBKSXKQCSA-M 02/07/2014 Miscellaneous CE6463 13-hydroxy-D4-neuroprostane C22H31O5 -1 BAWOSSADQOARSN-JHIZZXPQSA-M 02/07/2014 Miscellaneous CE6464 17-hydroxy-E4-neuroprostane C22H31O5 -1 53481484 ULILMUUUHYDFOW-HOGCIABESA-M HMDB12601 02/07/2014 Miscellaneous CE6465 17-hydroxy-D4-neuroprostane C22H31O5 -1 WGWLXYZABPWUEU-AZEUNIAMSA-M 02/07/2014 Miscellaneous CE6466 20-hydroxy-E4-neuroprostane C22H31O5 -1 53481510 BIHPRUQXOKWQGU-KBUBQVDUSA-M HMDB12638 02/07/2014 Miscellaneous CE6467 20-hydroxy-D4-neuroprostane C22H31O5 -1 FUDAOIJHCQWTIE-LXOMGHNTSA-M 02/07/2014 Miscellaneous CE6502 9,10-12,13-diepoxy-octadecanoate C18H31O4 -1 C14836 18172 LAIUZQCFIABNDP-UHFFFAOYSA-M 02/07/2014 Linoleate metabolism CE6504 1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether C18H31O6 -1 UPKSZTNLXJIVNV-DTQAZKPQSA-N 02/07/2014 Linoleate metabolism CE6506 3,4-epoxynonanal C9H16O2 0 HEXGZHJMMROIQO-UHFFFAOYSA-N 02/07/2014 Linoleate metabolism CE6508 5-hydroperoxy-EPA C20H29O4 -1 53394277 NKXYOIJDQPQELO-UHFFFAOYSA-M 02/07/2014 Eicosanoid metabolism CE6583 N-Retinylidene-Alpha-Phosphatidylethanolamine X 0 03/01/2017 CE6584 N-Retinylidene-N-Retinyl-Alpha-Phosphatidylethanolamine X 0 03/01/2017 CE6585 Dihydro-A2PE X 0 03/01/2017 CE7047 gama-tocopheroxyl radical C28H47O2 0 LBDXFUVWQHFODO-OHCBOFHFSA-N 02/07/2014 Vitamin E metabolism CE7072 13-carboxy-gama-tocotrienol C28H39O4 -1 53481464 UJMZKOBSLDXUHY-YQHRJHOASA-M HMDB12558 02/07/2014 Vitamin E metabolism CE7074 13-hydroxy-gama-tocotrienol C28H42O3 0 53481468 BUWYMGRHXZROTQ-XYSSNJNPSA-N HMDB0012562 02/07/2014 Vitamin E metabolism CE7079 leukotriene A5 C20H27O3 -1 UPGVTUHMXWZYBQ-PCKPGGNRSA-M 02/07/2014 Eicosanoid metabolism CE7080 15(S)-hydroperoxy-EPE C20H29O4 -1 02/07/2014 CE7081 15(R)-HEPE C20H29O3 -1 53480357 UDXLGBLAJBYLSZ-VDZNYAFISA-M HMDB10209 02/07/2014 Eicosanoid metabolism CE7082 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid C20H29O3 0 5283192 WLKCSMCLEKGITB-DBVSHIMFSA-N HMDB0062296 02/07/2014 Eicosanoid metabolism CE7083 leukotriene B5 C20H29O4 -1 5283125 BISQPGCQOHLHQK-HDNPQISLSA-M HMDB05073 02/07/2014 Eicosanoid metabolism CE7084 5,12-dihydroxy-6E-LTB5 C20H29O4 -1 BISQPGCQOHLHQK-TVSPXJJMSA-M 02/07/2014 Eicosanoid metabolism CE7085 5-HEPE C20H29O3 -1 1766 FTAGQROYQYQRHF-FCWZHQICSA-M HMDB05081 02/07/2014 Eicosanoid metabolism CE7086 leukotriene C5 C30H43N3O9S -2 53481570 OSBTVMNXIHRFGN-KERZFGRDSA-L HMDB12993 02/07/2014 Eicosanoid metabolism CE7087 leukotriene D5 C25H37N2O6S -1 53481571 RWLDHKGRPLNPBN-DSJHTHEWSA-M HMDB12994 02/07/2014 Eicosanoid metabolism CE7088 PGH3 C20H29O5 -1 C00427 53481592 15554 PVTQTOGPOPGQGE-SQJQFECVSA-M HMDB13040 02/07/2014 Eicosanoid metabolism CE7090 18R-HEPE C20H29O3 -1 C18177 16061126 LRWYBGFSVUBWMO-UAAZXLHOSA-M HMDB0062222 02/07/2014 Eicosanoid metabolism CE7091 15(R)-hydroperoxy-EPE C20H29O4 -1 FPMFSFWYWZLDKP-LJQANCHMSA-M 02/07/2014 Eicosanoid metabolism CE7096 5,15-DiHETE C20H31O4 -1 5283158 UXGXCGPWGSUMNI-XOFJEIAFSA-M HMDB10216 02/07/2014 Arachidonic acid metabolism CE7097 5-oxo-12(S)-hydroxy-eicosa-6E,8Z,10E,14Z-tetraenoate C20H29O4 -1 MLZJFLKEKVDNAZ-SFHVURJKSA-M 02/07/2014 Arachidonic acid metabolism CE7101 8alpha-hydroxy-gama-tocopherone C28H48O3 0 CSHBKBJSGSRKLB-MPPVQRIUSA-N 02/07/2014 Vitamin E metabolism CE7109 5(S),6(S)-epoxy-15(R)-HEPE C20H27O4 -1 YEBHLCFHJVBPBN-MYSKJJLHSA-M 02/07/2014 Eicosanoid metabolism CE7110 5,6-epoxy,18R-HEPE C20H27O4 -1 ZPAJZAMPZXISSE-ZQMVCERVSA-M 02/07/2014 Eicosanoid metabolism CE7111 5-oxo-EPE C20H27O3 -1 KVLNCELNGBMHDX-UHFFFAOYSA-M 02/07/2014 Eicosanoid metabolism CE7112 15-epi-lipoxin A5 C20H29O5 -1 CBOMORHDRONZRN-LVJYDSGRSA-M 02/07/2014 Eicosanoid metabolism CE7113 15-epi-lipoxin B5 C20H29O5 -1 53481476 VLLDKSJDBRLUOY-BYNRNTBMSA-M HMDB12588 02/07/2014 Eicosanoid metabolism CE7114 5,12,18R-TriHEPE C20H29O5 -1 AOPOCGPBAIARAV-ONFPHFCFSA-M 02/07/2014 Eicosanoid metabolism CE7115 20-hydroxy-leukotriene B5 C20H29O5 -1 HWTDXMKSMSSMRU-RNHTUMNMSA-M 02/07/2014 Eicosanoid metabolism CE7122 alpha-tocotrienoxyl radical C29H43O2 0 LALWPXWRMGORIU-KTWAZNHYSA-N 02/07/2014 Vitamin C metabolism CE7144 13-hydroxy-alpha-tocotrienol C29H44O3 0 53481466 OQCXIVSCFNNFEE-QFLITSPGSA-N HMDB0012560 02/07/2014 Vitamin E metabolism CE7145 13-carboxy-alpha-tocotrienol C29H41O4 -1 53481462 CBMCFKYSTHHHCC-QZDMETRGSA-M HMDB12556 02/07/2014 Vitamin E metabolism CE7172 14,15-DiHETE C20H31O4 -1 188277 BLWCDFIELVFRJY-QXBXTPPVSA-M HMDB10204 02/07/2014 Arachidonic acid metabolism CE7218 S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]-3-thiolactate C9H10N2O5S -2 192636 SRMWPLGMMNSTOE-UHFFFAOYSA-L 02/07/2014 Histidine metabolism CE7220 S-[2-carboxy-1-(1H-imidazol-4-yl)ethyl]glutathione C16H21N5O8S -2 GAVRWBMQPWMOGY-TZIJJQLOSA-L 02/07/2014 Histidine metabolism CE7228 13-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoate X 0 03/01/2017 CE7231 7-HETE X 0 03/01/2017 cechddd cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol C9H11O4 -1 02/07/2014 Phenylalanine metabolism ceclnl Cycloeucalenol C30H50O 0 19/09/2018 Xenobiotics metabolism cellb cellobiose C12H22O11 0 HMDB00055 02/07/2014 Starch and sucrose metabolism cellttr Cellotetrose C24H42O21 C24H42O21 0 26/08/2019 Plant polysaccharide degradation cellul Cellulose, chain length 500 glc_D assumed, DOI: 10.1002/anie.200460587 C3000H5002O2501 C3000H5002O2501 0 G10481 53477911 27/03/2015 Plant polysaccharide degradation celtr Cellotriose C18H32O16 0 19/09/2018 Starch and sucrose metabolism cenchddd cis-3-(3-carboxyethenyl)-3,5-cyclohexadiene-1,2-diol C9H9O4 -1 02/07/2014 Phenylalanine metabolism cer1_bt Ceramide-1 (Sphinganine:C15:0 anteiso)(B. thetaiotaomicron specific) C35H71NO3 0 02/07/2014 cfaldh Caffeyl aldehyde C9H8O3 0 19/09/2018 Caffeine metabolism cfesp Corrinoid Iron sulfur protein C19CoN4R21 0 C06021 23/02/2015 Wood-Ljungdahl Pathway cfn Caffeine C8H10N4O2 0 19/09/2018 Caffeine metabolism cfoh Caffeyl alcohol C9H10O3 0 19/09/2018 Caffeine metabolism cfral Coniferaldehyde C10H10O3 0 19/09/2018 Caffeine metabolism cfrl Coniferol C10H12O3 0 19/09/2018 Isoquinoline alkaloid biosynthesis cglsd Cyanoglucoside C8H11NO6R2 0 19/09/2018 Cyanoamino acid metabolism cgly L-cysteinylglycine C5H10N2O3S 0 C01419 439498 4047 ZUKPVRWZDMRIEO-VKHMYHEASA-N HMDB00078 02/07/2014 Alanine and aspartate metabolism ch15dccoa Cyclohexa-1,5-dienecarbonyl-CoA C28H39N7O17P3S -3 19/09/2018 Xenobiotics metabolism ch4 Methane CH4 CH4 0 C01438 297 16183 VNWKTOKETHGBQD-UHFFFAOYSA-N [H]C([H])([H])[H] HMDB02714 03/02/2015 Methane metabolism ch4s Methanethiol CH4S 0 C00409 878 16007 LSDPWZHWYPCBBB-UHFFFAOYSA-N HMDB03227 02/07/2014 Methionine and cysteine metabolism chepts Celloheptaose C42H72O36 0 19/09/2018 Starch and sucrose metabolism chexs Cellohexaose C36H62O31 0 19/09/2018 Starch and sucrose metabolism chit6p chitobiose-6-phosphate C16H27N2O14P 0 02/07/2014 chitin Chitin C8H13NO5 0 02/07/2014 Plant polysaccharide degradation chito2pdol_L N,N-Diacetylchitobiosyldiphosphodolichol, human liver homolog C1240H2028N20O170P20 -20 C04537 22833564 12427 QBRZRKKUHJLMCY-HRUJLXCPSA-L HMDB01196 02/07/2014 N-glycan synthesis chito2pdol_U N,N-Diacetylchitobiosyldiphosphodolichol, human uterine homolog C1185H1940N20O170P20 -20 12427 QBRZRKKUHJLMCY-HRUJLXCPSA-L 02/07/2014 N-glycan synthesis chitob Chitobiose C16H28N2O11 0 02/07/2014 chlbctn Chlorobactene C40H52 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism chlgnt Chlorogenate C16H17O9 C16H17O9 -1 19/09/2018 Caffeine metabolism chlnpgn Choline plasmalogen C11H20NO7PR2 0 19/09/2018 Ether lipid metabolism chloropha Chlorophyll a C55H71N4O5Mg 0 C05306 HMDB0038578 08/03/2016 Porphyrin and chlorophyll metabolism chlphncl Chloramphenicol C11H12N2O5Cl2 0 19/09/2018 Drug metabolism chlphncl_glc Chloramphenicol 3-Glucuronide C17H20Cl2N2O11 C17H19Cl2N2O11 -1 83960 01/03/2019 Drug metabolism chlphncl3a Chloramphenicol 3-acetate C13H14N2O6Cl2 0 19/09/2018 Xenobiotics metabolism chlphyllide Chlorophyllide C35H33N4O5Mg 0 C02139 HMDB0031147 14/03/2016 Porphyrin and chlorophyll metabolism chlstol 5alpha-cholesta-7,24-dien-3beta-ol C27H44O 0 C05439 440670 16290 PKEPPDGGTSZLBL-SKCNUYALSA-N HMDB06842 02/07/2014 Cholesterol metabolism chmsaldh 5-Chloro-2-hydroxymuconic semialdehyde C6H4O4Cl -1 19/09/2018 Benzoate degradation chol Choline C5H14NO 1 C00114 305 15354 OEYIOHPDSNJKLS-UHFFFAOYSA-N HMDB00097 02/07/2014 Glycerophospholipid metabolism cholate Cholate C24H39O5 -1 C00695 221493 16359 BHQCQFFYRZLCQQ-OELDTZBJSA-M HMDB00619 02/07/2014 Bile acid metabolism cholcoa choloyl-CoA(4-) C45H70N7O20P3S -4 C01794 439573 15519 ZKWNOTQHFKYUNU-JGCIYWTLSA-J HMDB01374 02/07/2014 Bile acid metabolism cholcoads 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA C48H74N7O20P3S -4 C05460 5280797 27505 QVDPWQVOSKJUES-SQEGORTJSA-J HMDB06889 02/07/2014 Bile acid synthesis cholcoaone 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA(4-) C48H74N7O21P3S -4 C05467 440690 27379 AWLXQJGPNLCTLM-YFXOTMPNSA-J HMDB06891 02/07/2014 Bile acid metabolism cholcoar (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA(4-) C48H76N7O20P3S -4 C15613 15942889 37642 MNYDLIUNNOCPHG-FJWDCHQMSA-J HMDB0060305 02/07/2014 Bile acid synthesis cholcoas 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA(S) C48H76N7O20P3S -4 C17343 15942888 15493 MNYDLIUNNOCPHG-TUTZYBGQSA-J HMDB02178 02/07/2014 Bile acid synthesis cholp choline phosphate(1-) C5H13NO4P -1 C00588 1014 18132 YHHSONZFOIEMCP-UHFFFAOYSA-M HMDB01565 02/07/2014 Glycerophospholipid metabolism chols Choline sulfate C5H13NO4S 0 02/07/2014 Glycine, serine, alanine, and threonine metabolism chor chorismate C10H8O6 -2 C00251 12039 HMDB0012199 02/07/2014 Folate metabolism chsterol cholesterol C27H46O 0 C00187 11025495 16113 HVYWMOMLDIMFJA-DPAQBDIFSA-N HMDB00067 02/07/2014 Bile acid metabolism chsterols cholesterol sulfate C27H45O4S -1 C18043 65076 41321 BHYOQNUELFTYRT-DPAQBDIFSA-M HMDB00653 02/07/2014 Steroid metabolism chtbs N,N-diacetylchitobiose C16H28N2O11 0 02/07/2014 Aminosugar metabolism chtn chitin C24H41N3O16 0 71404 WZZVUHWLNMNWLW-VFCSDQTKSA-N 02/07/2014 Aminosugar metabolism chxn Cyclohexanone C6H10O 0 19/09/2018 Xenobiotics metabolism chxn12dn Cyclohexan-1,2-dione C6H8O2 0 19/09/2018 Xenobiotics metabolism chxne Cyclohexane C6H12 0 19/09/2018 Xenobiotics metabolism chxnol Cyclohexanol C6H12O 0 19/09/2018 Xenobiotics metabolism chxylamn Cyclohexylamine C6H14N 1 19/09/2018 Xenobiotics metabolism chylo_hs Chylomicron Lipoprotein X 0 03/01/2017 Glycerophospholipid metabolism cinnm trans-Cinnamate C9H7O2 -1 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism cinnmaldh Cinnamaldehyde C9H8O 0 19/09/2018 Phenylalanine metabolism cinnmcoa Trans-Cinnamyl-CoA C30H42N7O17P3S C30H38N7O17P3S -4 20/12/2017 Phenylalanine metabolism cinnmoh Cinnamyl alcohol C9H10O 0 19/09/2018 Phenylalanine metabolism cisacndl cis-1,2-Anthracenediol C14H12O2 0 19/09/2018 Polycyclic aromatic hydrocarbon degradation cisclaaldh cis-3-Chloroallyl aldehyde C3H3OCl 0 19/09/2018 Xenobiotics metabolism cisclpol cis-3-Chloro-2-propene-1-ol C3H5OCl 0 19/09/2018 Xenobiotics metabolism cisipgn (+)-cis-Isopulegone C10H16O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cit Citrate C6H5O7 -3 C00158 311 30769 KRKNYBCHXYNGOX-UHFFFAOYSA-K HMDB00094 02/07/2014 Citric acid cycle Cit_Mg Citrate-Mg C6H5O7Mg -1 02/07/2014 citmal (S)-Citramalate C5H8O5 C5H6O5 -2 C02614 HMDB00426 17/03/2015 C5-branched dibasic acid metabolism citmcoa_L (3S)-citramalyl-CoA(5-) C26H37N7O20P3S -5 C01011 53477827 36882 XYGOWHUIVNMEIA-XBVYHAPZSA-I HMDB06345 02/07/2014 C5-branched dibasic acid metabolism citr_L L-citrulline C6H13N3O3 0 C00327 9750 16349 RHGKLRLOHDJJDR-BYPYZUCNSA-N HMDB00904 02/07/2014 Alanine and aspartate metabolism ckdn CMP-3-deoxy-D-glycero-D-galacto-nonulosonic acid C18H26N3O16P -2 02/07/2014 Cell wall biosynthesis ckdo CMP-3-deoxy-D-manno-octulosonate C17H24N3O15P -2 02/07/2014 Lipopolysaccharide biosynthesis cl Chloride Cl -1 C00698 24526 17996 VEXZGXHMUGYJMC-UHFFFAOYSA-M HMDB00492 02/07/2014 Drug metabolism clcxb Celecoxib C17H14F3N3O2S C17H14F3N3O2S 0 C07589 2662 01/03/2019 Drug metabolism clcxb_c Carboxycelecoxib C17H14F3N3O4S C17H13F3N3O4S -1 10047220 01/03/2019 Drug metabolism clcxb_c_glc Carboxycelecoxib Glucuronide C23H22F3N3O10S C23H21F3N3O10S -1 01/03/2019 Drug metabolism clcxb_glc Celecoxib Glucuronide C23H22F3N3O8S C23H21F3N3O8S -1 01/03/2019 Drug metabolism clobi_c Clopidogrel Carboxylic Acid C15H14ClNO2S C15H14ClNO2S 0 4129546 01/03/2019 Drug metabolism clobi_glc Clopidogrel Acyl-Beta-D-Glucuronide C21H22ClNO8S C21H21ClNO8S -1 46781052 01/03/2019 Drug metabolism clphedcp 2-(4-Chlorophenyl)-3,3-dichloropropenoate C9H4O2Cl3 -1 19/09/2018 Xenobiotics metabolism clpn_HP Cardiolipin (Hpylori) C75H140O17P2 -2 17/07/2015 clpn_hs cardiolipin C9H16O9P2FULLRCO2FULLR2CO2FULLRCO2FULLR2CO2 -2 02/07/2014 Glycerophospholipid metabolism clpn_LLA Cardiolipin__lactis_specific_ C7740H14396O1700P200 0 02/07/2014 clpn_LPL Cardiolipin__LPL_specific_ X 0 02/07/2014 clpn120 cardiolipin (tetradodecanoyl, n-C12:0) C57H108O17P2 -2 02/07/2014 Fatty acid synthesis clpn140 cardiolipin (tetratetradecanoyl, n-C14:0) C65H124O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpn141 cardiolipin (tetratetradec-7-enoyl, n-C14:1) C65H116O17P2 -2 02/07/2014 clpn160 cardiolipin (tetrahexadecanoyl, n-C16:0) C73H140O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpn161 cardiolipin (tetrahexadec-9-enoyl, n-C16:1) C73H132O17P2 -2 02/07/2014 Fatty acid synthesis clpn180 cardiolipin (tetraoctadecanoyl, n-C18:0) C81H156O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpn181 cardiolipin (tetraoctadec-11-enoyl, n-C18:1) C81H148O17P2 -2 02/07/2014 Fatty acid synthesis clpn2_ST Membrane cardiolipin mixture X 0 02/07/2014 clpnai15 cardiolipin (12-methyl-tetradecanoyl, anteiso-C15) C69H132O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpnai17 cardiolipin (14-methyl-hexadecanoyl, anteiso-C17) C77H148O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpnd clupanodonic acid C22H33O2 -1 C16513 5497182 53488 YUFFSWGQGVEMMI-AVVVFXBPSA-M HMDB06528 02/07/2014 Fatty acid oxidation clpndcoa clupanodonyl CoA C43H64N7O17P3S -4 C16166 53477812 NDRVWKXEWNMEEO-IWPXNJMRSA-J HMDB06267 02/07/2014 Fatty acid oxidation clpndcrn clupanodonyl carnitine C29H47NO4 0 AOSDFVDGMYPTHD-NQXOOMTHSA-N HMDB06496 02/07/2014 Fatty acid oxidation clpni14 cardiolipin (12-methyl-tridecanoyl, iso-C14) C65H124O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpni15 cardiolipin (13-methyl-tetradecanoyl, iso-C15) C69H132O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpni16 cardiolipin (14-methyl-pentadecanoyl, iso-C16) C73H140O17P2 -2 02/07/2014 Glycerophospholipid metabolism clpni17 cardiolipin (15-methyl-hexadecanoyl, iso-C17) C77H148O17P2 -2 02/07/2014 Glycerophospholipid metabolism cmbtold 4-Carboxymethylenebut-2-en-4-olide C6H3O4 -1 19/09/2018 Xenobiotics metabolism cmdadprd Calmodulin N6-methyl-L-lysine C8H15N3O2R2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cmdlys Calmodulin L-lysine C7H13N3O2R2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cmlppaldh 3-Carbamoyl-2-phenylpropionaldehyde C10H11NO3 0 19/09/2018 Xenobiotics metabolism cmnt Clavaminate C8H10N2O4 0 19/09/2018 Clavulanic acid biosynthesis cmp CMP C9H12N3O8P -2 C00055 6131 17361 IERHLVCPSMICTF-XVFCMESISA-L HMDB00095 02/07/2014 Blood group synthesis cmp2amep CMP-2-aminoethylphosphonate C11H19N4O10P2 -1 C05673 440754 FBADRUOBFLBKJQ-PEBGCTIMSA-M HMDB0060067 02/07/2014 Glycerophospholipid metabolism cmpacna CMP-N-acetyl-beta-neuraminate(2-) C20H29N4O16P -2 C00128 448209 16556 TXCIAUNLDRJGJZ-BILDWYJOSA-L HMDB01176 02/07/2014 Aminosugar metabolism cmpntm2amep CMP-N-trimethyl-2-aminoethylphosphonate C14H25N4O10P2 -1 C05674 440755 RNUGPSIGKYHQNQ-OJAKKHQRSA-M HMDB0060072 02/07/2014 Glycerophospholipid metabolism cmusa cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate C7H6NO5 -1 C04409 5280673 995 KACPVQQHDVBVFC-OIFXTYEKSA-M HMDB01330 02/07/2014 Tryptophan metabolism CN0009 Benzo[A]Pyrene-2,3-Diol C20H14O2 0 02/07/2014 Xenobiotics metabolism CN0010 Benzo[A]Pyrene-4,5-Diol C20H12O2 0 AFDHSXYOTGMEAP-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0011 Benzo[A]Pyrene-9,10-Diol C20H12O2 0 UMJIZEKULDXYAK-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0012 Benzo[A]Pyrene-2,3-Oxide C20H12O 0 HIWUMYIKMBIYMX-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0016 Dibenzo[a,l]pyrene C24H14 0 C19174 9119 35861 JNTHRSHGARDABO-UHFFFAOYSA-N HMDB0060116 02/07/2014 Xenobiotics metabolism CN0017 Dibenzo[A,L]Pyrene-11,12-Epoxide C24H14O 0 JQVOOYGHXVJTHM-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0018 Dibenzo[A,L]Pyrene-11,12-Diol C24H16O2 0 WRVXSEQFNZZEJV-HYBUGGRVSA-N 02/07/2014 Xenobiotics metabolism CN0019 Dibenzo[a,l]pyrene-11,12-diol-13,14-epoxide X 0 02/07/2014 Xenobiotics metabolism CN0020 7,12-Dimethylbenz[a]anthracene C20H16 0 C19488 6001 ARSRBNBHOADGJU-UHFFFAOYSA-N HMDB0062429 02/07/2014 Xenobiotics metabolism CN0021 7,12-Dimethylbenz[A]Anthracene-3,4-Oxide C20H16O 0 UZKWBBZEYBCHIN-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0022 7,12-Dimethylbenz[A]Anthracene-3,4-Diol C20H18O2 0 YZIIKMBFHLJAFT-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism CN0023 7,12-Dimethylbenz[A]Anthracene-3,4-Diol-1,2-Epoxide C20H18O3 0 SZIWZGXOWBSPTO-UHFFFAOYSA-N 02/07/2014 Xenobiotics metabolism cndn3gcg Cyanidin 3-glucoside 5-caffeoylglucoside C36H35O19 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cnhdrn Cyanohydrin C2HNOR2 0 19/09/2018 Cyanoamino acid metabolism cnls Carbonyl sulfide COS 0 19/09/2018 Sulfur metabolism cnmlbdglu trans-Cinnamoyl beta-D-glucoside C15H18O7 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cnmlcoa Cinnamoyl-CoA C30H39N7O17P3S -3 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cnn Coniine C8H17N 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cnrt Cyanuric acid C3H3N3O3 0 19/09/2018 Xenobiotics metabolism cnxthn 9-cis-Neoxanthin C40H56O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism co carbon monoxide CO 0 C00237 281 17245 UGFAIRIUMAVXCW-UHFFFAOYSA-N HMDB01361 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism co1dam Cob(I)yrinate a,c diamide C45H56CoN6O12 -5 C06505 NKLHEMWEQJCPPF-YYYLUSCNSA-M HMDB06904 02/07/2014 Vitamin B12 metabolism co2 Carbon dioxide CO2 0 C00011 280 16526 CURLTUGMZLYLDI-UHFFFAOYSA-N HMDB01967 02/07/2014 Alanine and aspartate metabolism co2dam Cob(II)yrinate a,c diamide C45H56CoN6O12 -4 C06504 02/07/2014 Vitamin B12 metabolism coa Coenzyme A C21H32N7O16P3S -4 C00010 6816 15346 RGJOEKWQDUBAIZ-IBOSZNHHSA-J HMDB01423 02/07/2014 Alanine and aspartate metabolism cob Coenzyme B C11H22NO7PS C11H19NO7PS -3 02/07/2014 Methane metabolism cob1nda Cob-I-yrinate-a-c-diamide C45H56CoN6O12 0 02/07/2014 cob2nda Cob-II-yrinate-a-c-diamide C45H56CoN6O12 0 02/07/2014 cobalt2 Co2+ Co 2 C00175 104729 HMDB00608 02/07/2014 Vitamin B12 metabolism cobn Cobyrinate C45H52CoN4O14 0 02/07/2014 cobya Cobyrinate C45H52N4O14Co -6 C05773 02/07/2014 Vitamin B12 metabolism codhpre6 cobalt-dihydro-precorrin 6 C44H47N4O16Co -7 C11543 02/07/2014 Vitamin B12 metabolism codscl2 Cobalt-precorrin-2 C42H39CoN4O16 0 02/07/2014 codscl3 Cobalt-precorrin-3 C43H41CoN4O16 0 02/07/2014 codscl4 Cobalt-precorrin-4 C44H44CoN4O16 0 02/07/2014 codscl5a Cobalt-precorrin-5a C45H46CoN4O16 0 02/07/2014 codscl6a Cobalt-precorrin-6a C44H45CoN4O16 0 02/07/2014 codscl8x Cobalt-precorrin-8x C45H52CoN4O14 0 02/07/2014 coF420 Coenzyme F420 C29H38N5O18P C29H34N5O18P -4 02/07/2014 Methane metabolism coF420h Reduced coenzyme F420 C29H40N5O18P C29H36N5O18P -4 02/07/2014 Methane metabolism coke cocaine(1+) C17H21NO4 0 C01416 446220 27958 ZPUCINDJVBIVPJ-LJISPDSOSA-N HMDB0015043 02/07/2014 Alkaloid synthesis colipa core oligosaccharide lipid A C176H303N2O100P4 -11 02/07/2014 Lipopolysaccharide biosynthesis colipa20Oag O-antigen-x20-core-oligosaccharide-lipid-A C656H1103N2O440P4 0 02/07/2014 colipaOA Membrane LPS mixture X 0 02/07/2014 com Coenzyme M C2H6O3S2 C2H5O3S2 -1 C03576 598 58319 ZNEWHQLOPFWXOF-UHFFFAOYSA-N HMDB03745 02/07/2014 Methane metabolism comSScob CoM-S-S-CoB C13H26NO10PS3 C13H22NO10PS3 -4 02/07/2014 Methane metabolism copre2 cobalt-precorrin 2 C42H38N4O16Co -8 C11538 02/07/2014 Vitamin B12 metabolism copre3 cobalt-precorrin 3 C43H40N4O16Co -8 C11539 02/07/2014 Vitamin B12 metabolism copre4 cobalt-precorrin 4 C44H43N4O16Co -7 C11540 02/07/2014 Vitamin B12 metabolism copre5 cobalt-precorrin 5 C45H45N4O16Co -7 C11541 02/07/2014 Vitamin B12 metabolism copre5b Cobalt-precorrin-5b C43H42CoN4O16 -8 02/07/2014 Vitamin B12 metabolism copre6 cobalt-precorrin 6 C44H45N4O16Co -7 C11542 02/07/2014 Vitamin B12 metabolism copre6b Cobalt-precorrin-6b C44H47CoN4O16 -7 02/07/2014 Vitamin B12 metabolism copre7 Cobalt-precorrin-7 C44H50CoN4O14 -6 02/07/2014 Vitamin B12 metabolism copre8 cobalt-precorrin 8 C45H52N4O14Co -6 C11545 02/07/2014 Vitamin B12 metabolism coprost Coprostanol C27H48O C27H48O 0 QYIXCDOBOSTCEI-NWKZBHTNSA-N HMDB00577 22/12/2016 Bile acid metabolism core_lps_bt core_lps_bt C139H253N2O66P3 -1 02/07/2014 core_lps_hp core_lps_hp C129H237N2O62P2 1 17/07/2015 core2 Core 2 C22H37N2O15X 0 15876 02/07/2014 Keratan sulfate synthesis core2_rl released Core 2 C22H38N2O16 C22H38N2O16 0 G00306 29/03/2017 O-glycan degradation core3 Core 3 C16H27N2O10X 0 C01306 16250 02/07/2014 Mucin O-glycan biosynthesis core4 Core 4 C24H40N3O15X 0 C04917 16478 02/07/2014 Keratan sulfate synthesis core4_rl released Core 4 C24H41N3O16 C24H41N3O16 0 G00643 29/03/2017 O-glycan degradation core5 Core 5 C16H27N2O10X 0 02/07/2014 O-glycan degradation core6 Core 6 C16H27N2O10X 0 02/07/2014 Keratan sulfate degradation core7 Core 7 C16H27N2O10X 0 02/07/2014 O-glycan degradation core8 Core 8 C14H24NO10X 0 02/07/2014 O-glycan degradation cortsn cortisone C21H28O5 0 C00762 222786 16962 MFYSYFVPBJMHGN-ZPOLXVRWSA-N HMDB02802 02/07/2014 Steroid metabolism coucoa 4-coumaroyl-CoA(4-) C30H38N7O18P3S1 -4 C00223 147899 57355 DMZOKBALNZWDKI-FUEUKBNZSA-J 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism coumarin coumarin C9H6O2 0 C05851 323 28794 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N HMDB01218 02/07/2014 Cytochrome metabolism cpamld N-Cyclopropylammelide C6H8N4O2 0 19/09/2018 Xenobiotics metabolism cpamln N-Cyclopropylammeline C6H9N5O 0 19/09/2018 Xenobiotics metabolism cpamn Cyclopropylamine C3H8N 1 19/09/2018 Xenobiotics metabolism cpcmrt cis-p-Coumarate C9H7O3 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cpe160 cyclopropane phosphatidylethanolamine (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo) C39H74N1O8P1 0 02/07/2014 cpe180 cyclopropane phosphatidylethanolamine (dioctadec-11,12-cyclo-anoyl, n-C18:0 cyclo) C43H82N1O8P1 0 02/07/2014 cpg160 cyclopropane phosphatidylglycerol (dihexadec-9,10-cyclo-anoyl, n-C16:0 cyclo) C40H74O10P1 -1 02/07/2014 cpg180 cyclopropane phosphatidylglycerol (dioctadec-11,12-cyclo-anoyl, n-C18:0 cyclo) C44H82O10P1 -1 02/07/2014 cpgn coprogen C35H52N6O13Fe -1 02/07/2014 cpgn_un coprogen unloaded (no Fe(III)) C35H52N6O13 -4 02/07/2014 cphlsprnc Cephalosporin C C16H20N3O8S -1 19/09/2018 Xenobiotics metabolism cpmemn Cyclopropylmelamine C6H10N6 0 19/09/2018 Xenobiotics metabolism cpntn Cyclopentanone C5H8O 0 19/09/2018 Xenobiotics metabolism cpntnl Cyclopentanol C5H10O 0 19/09/2018 Xenobiotics metabolism cpnts Cellopentaose C30H52O26 0 19/09/2018 Starch and sucrose metabolism cpocdacp cyclopropanoyl_octadecanoyl_acyl_carrier_protein C19H34OX 0 02/07/2014 cpppg1 Coproporphyrinogen I C36H40N4O8 -4 C05768 440776 28607 WIUGGJKHYQIGNH-UHFFFAOYSA-J HMDB02158 02/07/2014 Heme synthesis cpppg3 Coproporphyrinogen III C36H40N4O8 -4 C03263 321 15439 NIUVHXTXUXOFEB-UHFFFAOYSA-J HMDB01261 02/07/2014 Heme synthesis cprst3one Coprostan-3-one C27H46O 0 19/09/2018 Steroid metabolism cps_bt Capsule polysaccharide (B.thetaiotaomicron specific) C69H102O67P8N14 -10 02/07/2014 Cell wall biosynthesis cps_fp Capsular polysaccharide (F. prausnitzii, putative) C63H93N9O66P8 -8 02/07/2014 Cell wall biosynthesis CPS_LLA Polysaccharide_units_Lactis_specific C24H47O26P1 0 02/07/2014 CPS_LPL capsular_polysaccharide_linkage_unit__LPL_specific X 0 02/07/2014 CPS_LPL2 capsular_polysaccharide_linkage_unit__LPL_specific X 0 02/07/2014 creat creatine C4H9N3O2 0 C00300 586 16919 CVSVTCORWBXHQV-UHFFFAOYSA-N HMDB00064 02/07/2014 Glycine, serine, alanine, and threonine metabolism crglz carboxy-gliclazide C15H19N3O5S C15H17N3O5S -2 02/07/2014 Drug metabolism crm_hs N-acylsphingosine C18H36NO2FULLRCO 0 52639 VODZWWMEJITOND-NXCSZAMKSA-N 02/07/2014 Glycerophospholipid metabolism crmdc Ceramide ciliatine C21H41N2O5PR -1 19/09/2018 Sphingolipid metabolism crmp_hs ceramide 1-phosphate(2-) C18H35NO5PFULLRCO -2 57674 02/07/2014 Sphingolipid metabolism crn L-Carnitine C7H15NO3 0 C00318 2724480 16347 PHIQHXFUZVPYII-ZCFIWIBFSA-N HMDB00062 02/07/2014 Fatty acid oxidation crn_D D-Carnitine C7H15NO3 0 02/07/2014 Fatty acid oxidation crncoa L-Carnitinyl-CoA C28H46N8O18P3S -3 02/07/2014 Fatty acid oxidation crnDcoa D-carnitinyl-CoA C28H46N8O18P3S -3 02/07/2014 Fatty acid oxidation cro4 chromate CrH2O4 CrO4 -2 02/07/2014 crtn creatinine C4H7N3O 0 C00791 588 16737 DDRJAANPRJIHGJ-UHFFFAOYSA-N HMDB00562 02/07/2014 Arginine and proline metabolism crtsl cortisol C21H30O5 0 C00735 657311 17650 JYGXADMDTFJGBT-VWUMJDOOSA-N HMDB00063 02/07/2014 Steroid metabolism crtstrn corticosterone C21H30O4 0 C02140 5753 16827 OMFXVFTZEKFJBZ-HJTSIMOOSA-N HMDB01547 02/07/2014 Steroid metabolism crvn Carvone C10H14O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism crvnc cervonic acid, C22:6 n-3 C22H31O2 -1 C06429 445580 28125 MBMBGCFOFBJSGT-KXRQTMKUSA-M HMDB02183 02/07/2014 Cholesterol metabolism crvs cerivastatin C25H31FNNaO5 C25H31FNNaO5 0 D07661 SEERZIQQUAZTOL-ANMDKAQQSA-N 02/07/2014 Drug metabolism crvsm1 cerivastatin-M1 C24H29FNNaO5 C24H29FNNaO5 0 02/07/2014 Drug metabolism crvsm22 cerivastatin-M22 C25H29FNNaO4 C25H29FNNaO4 0 02/07/2014 Drug metabolism crvsm23 cerivastatin-M23 C25H31FNNaO6 C25H31FNNaO6 0 02/07/2014 Drug metabolism crvsm24 cerivastatin-M24 C24H29FNNaO6 C24H29FNNaO6 0 02/07/2014 Drug metabolism crvsm31 cerivastatin-M31 C26H31FNNaO5 C26H31FNNaO5 0 02/07/2014 Drug metabolism cs_a chondroitin sulfate A (GalNAc4S-GlcA), free chain C45H67N2O46S3 -5 02/07/2014 Chondroitin sulfate degradation cs_a_b_e_pre1 chondroitin sulfate A (GalNAc4S-GlcA), B (IdoA2S-GalNAc4S), and E (GalNAc4,6diS-GlcA), precursor 1 C31H47NO31S2X -3 02/07/2014 Chondroitin synthesis cs_a_b_pre2 chondroitin sulfate A (GalNAc4S-GlcA) and B (IdoA2S-GalNAc4S), precursor 2 C37H54NO37S2X -4 02/07/2014 Chondroitin synthesis cs_a_b_pre3 chondroitin sulfate A (GalNAc4S-GlcA) and B (IdoA2S-GalNAc4S), precursor 3 C45H67N2O42S2X -4 02/07/2014 Chondroitin synthesis cs_a_deg1 chondroitin sulfate A (GalNAc4S-GlcA), degradation product 1 C45H68N2O43S2 -4 02/07/2014 Chondroitin sulfate degradation cs_a_deg2 chondroitin sulfate A (GalNAc4S-GlcA), degradation product 2 C37H55NO38S2 -4 02/07/2014 Chondroitin sulfate degradation cs_a_deg3 chondroitin sulfate A (GalNAc4S-GlcA), degradation product 3 C31H48NO32S2 -3 02/07/2014 Chondroitin sulfate degradation cs_a_deg4 chondroitin sulfate A (GalNAc4S-GlcA), degradation product 4 C31H49NO29S -2 02/07/2014 Chondroitin sulfate degradation cs_a_deg5 chondroitin sulfate A (GalNAc4S-GlcA), degradation product 5 C23H36O24S -2 02/07/2014 Chondroitin sulfate degradation cs_b chondroitin sulfate B / dermatan sulfate (IdoA2S-GalNAc4S), free chain C45H66N2O49S4 -6 02/07/2014 Chondroitin sulfate degradation cs_b_deg1 chondroitin sulfate B / dermatan sulfate (IdoA2S-GalNAc4S), degradation product 1 C45H67N2O46S3 -5 02/07/2014 Chondroitin sulfate degradation cs_b_deg2 chondroitin sulfate B / dermatan sulfate (IdoA2S-GalNAc4S), degradation product 2 C37H54NO41S3 -5 02/07/2014 Chondroitin sulfate degradation cs_b_deg3 chondroitin sulfate B / dermatan sulfate (IdoA2S-GalNAc4S), degradation product 3 C37H55NO38S2 -4 02/07/2014 Chondroitin sulfate degradation cs_b_pre4 chondroitin sulfate B (IdoA2S-GalNAc4S), precursor 4 C45H67N2O42S2X -4 02/07/2014 Chondroitin synthesis cs_b_pre5 chondroitin sulfate B (IdoA2S-GalNAc4s), precursor 5 C45H66N2O45S3X -5 02/07/2014 Chondroitin synthesis cs_c chondroitin sulfate C (GalNAc6S-GlcA), free chain C45H67N2O46S3 -5 02/07/2014 Chondroitin sulfate degradation cs_c_d_e_pre1 chondroitin sulfate C (GalNAc6S-GlcA) and D (GlcNAc6S-GlcA2S), precursor 1 C31H47NO31S2X -3 02/07/2014 Chondroitin synthesis cs_c_deg1 chondroitin sulfate C (GalNAc6S-GlcA), degradation product 1 C45H68N2O43S2 -4 02/07/2014 Chondroitin sulfate degradation cs_c_deg2 chondroitin sulfate C (GalNAc6S-GlcA), degradation product 2 C37H55NO38S2 -4 02/07/2014 Chondroitin sulfate degradation cs_c_deg3 chondroitin sulfate C (GalNAc6S-GlcA), degradation product 3 C31H48NO32S2 -3 02/07/2014 Chondroitin sulfate degradation cs_c_deg4 chondroitin sulfate C (GalNAc6S-GlcA), degradation product 4 C31H49NO29S -2 02/07/2014 Chondroitin sulfate degradation cs_c_deg5 chondroitin sulfate C (GalNAc6S-GlcA), degradation product 5 C23H36O24S -2 02/07/2014 Chondroitin sulfate degradation cs_c_pre2 chondroitin sulfate C (GalNAc6S-GlcA), precursor 2 C37H54NO37S2X -4 02/07/2014 Chondroitin synthesis cs_c_pre3 chondroitin sulfate C (GalNAc6S-GlcA), precursor 3 C45H67N2O42S2X -4 02/07/2014 Chondroitin synthesis cs_d chondroitin sulfate D (GlcNAc6S-GlcA2S), free chain C45H65N2O52S5 -7 02/07/2014 Chondroitin sulfate degradation cs_d_deg1 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 1 C45H66N2O49S4 -6 02/07/2014 Chondroitin sulfate degradation cs_d_deg2 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 2 C37H53NO44S4 -6 02/07/2014 Chondroitin sulfate degradation cs_d_deg3 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 3 C37H54NO41S3 -5 02/07/2014 Chondroitin sulfate degradation cs_d_deg4 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 4 C31H47NO35S3 -4 02/07/2014 Chondroitin sulfate degradation cs_d_deg5 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 5 C31H48NO32S2 -3 02/07/2014 Chondroitin sulfate degradation cs_d_deg6 chondroitin sulfate D (GlcNAc6S-GlcA2S), degradation product 6 C23H35O27S2 -3 02/07/2014 Chondroitin sulfate degradation cs_d_pre2 chondroitin sulfate D (GlcNAc6S-GlcA2S) precursor 2 C31H46NO34S3X -4 02/07/2014 Chondroitin synthesis cs_d_pre3 chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 3 C37H53NO40S3X -5 02/07/2014 Chondroitin synthesis cs_d_pre4 chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 4 C45H66N2O45S3X -5 02/07/2014 Chondroitin synthesis cs_d_pre5 chondroitin sulfate D (GlcNAc6S-GlcA2S), precursor 5 C45H65N2O48S4X -6 02/07/2014 Chondroitin synthesis cs_e chondroitin sulfate E (GalNAc4,6diS-GlcA), free chain C45H64N2O55S6 -8 02/07/2014 Chondroitin sulfate degradation cs_e_deg1 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 1 C45H65N2O52S5 -7 02/07/2014 Chondroitin sulfate degradation cs_e_deg2 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 2 C45H66N2O49S4 -6 02/07/2014 Chondroitin sulfate degradation cs_e_deg3 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 3 C37H53NO44S4 -6 02/07/2014 Chondroitin sulfate degradation cs_e_deg4 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 4 C31H46NO38S4 -5 02/07/2014 Chondroitin sulfate degradation cs_e_deg5 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 5 C31H47NO35S3 -4 02/07/2014 Chondroitin sulfate degradation cs_e_deg6 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 6 C31H48NO32S2 -3 02/07/2014 Chondroitin sulfate degradation cs_e_deg7 chondroitin sulfate E (GalNAc4,6diS-GlcA), degradation product 7 C23H35O27S2 -3 02/07/2014 Chondroitin sulfate degradation cs_e_pre2 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 2 C31H45NO37S4X -5 02/07/2014 Chondroitin synthesis cs_e_pre3 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3 C37H52NO43S4X -6 02/07/2014 Chondroitin synthesis cs_e_pre4 chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 4 C45H65N2O48S4X -6 02/07/2014 Chondroitin synthesis cs_e_pre5a chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a C45H64N2O51S5X -7 02/07/2014 Chondroitin synthesis cs_e_pre5b chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5b C45H64N2O51S5X -7 02/07/2014 Chondroitin synthesis cs_hs_linkage chondroitin sulfate/heparan sulfate linkage region (GlcA-(Gal)2-Xyl-L-Ser (protein)) C23H36O20X -1 02/07/2014 Chondroitin synthesis cs_pre chondroitin sulfate precursor (GalNAc-GlcA-(Gal)2-Xyl-L-Ser (protein)) C31H49NO25X -1 C04893 02/07/2014 Chondroitin synthesis csa cyclosporine C62H111N11O12 C62H111N11O12 0 D00184 5284373 PMATZTZNYRCHOR-CGLBZJNRSA-N 02/07/2014 Drug metabolism csasulp cyclosporine-sulphate C62H111N11O15S C62H110N11O15S -1 02/07/2014 Drug metabolism csn cytosine C4H5N3O 0 C00380 597 16040 OPTASPLRGRRNAP-UHFFFAOYSA-N HMDB00630 02/07/2014 Methionine and cysteine metabolism cspg_a chondroitin sulfate A (GalNAc4S-GlcA) proteoglycan C45H66N2O45S3X -5 02/07/2014 Chondroitin sulfate degradation cspg_a_degr Dimer GalNAc4S-GlcA C14H21NO15S -2 02/07/2014 Chondroitin sulfate degradation cspg_ab_rest Not degradable product CSABCPASE_A/B, Gal4S-Gal-Xyl-L-Ser-protein C17H28O17SX -1 02/07/2014 Chondroitin sulfate degradation cspg_b chondroitin sulfate B / dermatan sulfate (IdoA2S-GalNAc4S) proteoglycan C45H65N2O48S4X -6 02/07/2014 Chondroitin sulfate degradation cspg_b_degr Dimer GalNAc4S-IdoA2S C14H20NO18S2 -3 02/07/2014 Chondroitin sulfate degradation cspg_c chondroitin sulfate C (GalNAc6S-GlcA) proteoglycan C45H66N2O45S3X -5 02/07/2014 Chondroitin sulfate degradation cspg_c_degr Dimer GalNAc6S-GlcA C14H21NO15S -2 02/07/2014 Chondroitin sulfate degradation cspg_c_rest Not degradable product CSABCPASE_C, Gal6S-Gal-Xyl-L-Ser-protein C17H28O17SX -1 02/07/2014 Chondroitin sulfate degradation cspg_d chondroitin sulfate D (GlcNAc6S-GlcA2S) proteoglycan C45H64N2O51S5X -7 02/07/2014 Chondroitin sulfate degradation cspg_e chondroitin sulfate E (GalNAc4,6diS-GlcA) proteoglycan C45H63N2O54S6X -8 02/07/2014 Chondroitin sulfate degradation cspmd Carboxyspermidine C8H20N3O2 1 C18172 02/07/2014 Arginine and proline metabolism ctbt crotonobetaine C7H13NO2 0 02/07/2014 Fatty acid oxidation ctbtcoa crotonobetainyl-CoA C28H44N8O17P3S -3 02/07/2014 Fatty acid oxidation ctdecdcoa cis2trans4decadienoylcoa C31H46N7O17P3S -4 FASAKYLWSRDQOH-STEVQDCBSA-J 02/07/2014 Fatty acid oxidation ctet Cellotetraose C24H42O21 0 19/09/2018 Starch and sucrose metabolism cthn Cathine C9H14NO 1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cthzp 4-Methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylate C7H10NO6PS C7H7NO6PS -3 C20247 12/07/2018 Thiamine metabolism ctlpmaldh Citalopram aldehyde C18H14NO2F 0 19/09/2018 Xenobiotics metabolism ctlpmppnt Citalopram propionic acid C18H13NO3F -1 19/09/2018 Xenobiotics metabolism ctp CTP C9H12N3O14P3 -4 C00063 6176 17677 PCDQPRRSZKQHHS-XVFCMESISA-J HMDB00082 02/07/2014 Aminosugar metabolism ctrnt Citronellate C10H17O2 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ctxt Cetraxate C17H23NO4 0 19/09/2018 Xenobiotics metabolism ctxtbester Cetraxate benzyl ester C24H30NO4 1 19/09/2018 Xenobiotics metabolism cu Cu+ Cu 1 02/07/2014 cu2 Cu2+ Cu 2 JPVYNHNXODAKFH-UHFFFAOYSA-N HMDB00657 02/07/2014 cvm1gluc cerivastatin-M1-glucuronide C30H37FNNaO11 C30H36FNNaO11 -1 02/07/2014 Drug metabolism cvm23gluc cerivastatin-M23-glucuronide C31H39FNNaO12 C31H38FNNaO12 -1 02/07/2014 Drug metabolism cvxthn 9-cis-Violaxanthin C40H56O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cxnthn Chloroxanthin C40H60O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cyan hydrogen cyanide CHN 0 C01326 768 17514 LELOWRISYMNNSU-UHFFFAOYSA-N HMDB0060292 02/07/2014 Aminobenzoate degradation cyanam Cyanamide CH2N2 CH2N2 0 C01566 01/07/2019 Atrazine degradation cych1e1cbxlcoa Cyclohex-1-ene-1-carboxyl-CoA C28H44N7O17P3S C28H40N7O17P3S -4 C09811 01/07/2019 Xenobiotics metabolism cyn Cyanin C27H29O16 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism cynt Cyanate CNO -1 C01417 105034 29195 XLJMAIOERFSOGZ-UHFFFAOYSA-M HMDB02078 02/07/2014 Miscellaneous cys_D D-Cysteine C3H7NO2S 0 02/07/2014 Methionine and cysteine metabolism cys_L L-cysteine C3H7NO2S 0 C00097 5862 17561 XUJNEKJLAYXESH-REOHCLBHSA-N HMDB00574 02/07/2014 Alanine and aspartate metabolism cysacmp cysteine-conjugate-acetaminophen C11H14N2O4S C11H14N2O4S 0 02/07/2014 Drug metabolism cysam cysteaminium C2H8NS 1 C01678 6058 17141 UFULAYFCSOUIOV-UHFFFAOYSA-O HMDB02991 02/07/2014 CoA catabolism cysasnmet Cystyl-Asparaginyl-Methionine C12H22N4O5S2 0 SQJSYLDKQBZQTG-BIIVOSGPSA-N 03/01/2017 Peptide metabolism cysaspphe Cystyl-Aspartyl-Phenylalanine C16H20N3O6S -1 IIGHQOPGMGKDMT-TUAOUCFPSA-M 03/01/2017 Peptide metabolism cyscys Cystyl-Cysteine C6H12N2O3S2 0 OABOXRPGTFRBFZ-IUYQGCFVSA-N 03/01/2017 Peptide metabolism cysglnmet Cystyl-Glutaminyl-Methionine C13H24N4O5S2 0 LMXOUGMSGHFLRX-YIZRAAEISA-N 03/01/2017 Peptide metabolism cysgluhis Cystyl-Glutamyl-Histidine C14H20N5O6S -1 UUOYKFNULIOCGJ-AEJSXWLSSA-M 03/01/2017 Peptide metabolism cysglutrp Cystyl-Glutamyl-Tryptophan C19H23N4O6S -1 GOKFTBDYUJCCSN-CFVMTHIKSA-M 03/01/2017 Peptide metabolism cysi_L L-Cystine C6H12N2O4S2 0 02/07/2014 cysleuthr Cystyl-Leucyl-Threonine C13H25N3O5S 0 XZKJEOMFLDVXJG-QEYWKRMJSA-N 03/01/2017 Peptide metabolism cyssermet Cystyl-Seryl-Methionine C11H21N3O5S2 0 VCPHQVQGVSKDHY-BIIVOSGPSA-N 03/01/2017 Peptide metabolism cyst_L L-cystathionine C7H14N2O4S 0 C02291 439258 17482 ILRYLPWNYFXEMH-WHFBIAKZSA-N HMDB00099 02/07/2014 Methionine and cysteine metabolism cysth_L L_Cystathionine C7H14N2O4S 0 02/07/2014 cystrna L-Cysteinyl-tRNA(Cys) C3H6NOSR 1 02/07/2014 cystyrasn Cystyl-Tyrosyl-Asparagine C16H22N4O6S 0 IWVNIQXKTIQXCT-TUAOUCFPSA-N 03/01/2017 Peptide metabolism cytaaox cytochrome-aa-ox CuR 2 12/11/2020 cytaar cytochrome-aa-red CuR 2 12/11/2020 cytbdox cytochrome-bd-ox FeR 4 12/11/2020 Respiration cytbdr cytochrome-bd-red FeR 2 12/11/2020 Respiration cytbox cytochrome-bo-ox CuR 2 12/11/2020 Respiration cytbr cytochrome-bo-red CuR 1 12/11/2020 Respiration cytcbbox cytochrome-cbb-ox CuR 4 12/11/2020 cytcbbr cytochrome-cbb-red CuR 2 12/11/2020 cytcox Cytochrome-C-ox FeR 3 12/11/2020 Respiration cytcr Cytochrome-C-red" FeR 2 12/11/2020 Respiration cytd Cytidine C9H13N3O5 0 C00475 6175 17562 UHDGCWIWMRVCDJ-XVFCMESISA-N HMDB00089 02/07/2014 Nucleotide interconversion czp Clonazepam C15H10ClN3O3 C15H10ClN3O3 0 2802 01/03/2019 Drug metabolism d12dg_LLA diglucosyl_1_2_diacylglycerol C4920H8998O1500 0 02/07/2014 d2hicprt D-2-Hydroxyisocaproate C6H11O3 -1 19/09/2018 d5kg 2-deoxy-5-keto-D-gluconic acid C6H10O6 C6H9O6 -1 C06892 9109 27972 OCC(=O)[C@@H](O)[C@H](O)CC(O)=O 02/07/2014 Inositol phosphate metabolism d5kgp 6-phosphonato-5-dehydro-2-deoxy-D-gluconate(3-) C6H11O9P C6H8O9P -3 C06893 9110 16925 O[C@H](CC(O)=O)[C@H](O)C(=O)COP(O)(O)=O 02/07/2014 Inositol phosphate metabolism daa Deaminated Amiodarone (M5) C21H20I2O4 C21H20I2O4 0 01/03/2019 Drug metabolism daa_glc Deaminated Amiodarone Glucuronide (M14) C27H28I2O10 C27H27I2O10 -1 01/03/2019 Drug metabolism dacphlsprnc Deacetylcephalosporin C C14H18N3O7S -1 19/09/2018 Xenobiotics metabolism dactxvndln Deacetoxyvindoline C23H30N2O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dad_2 2-deoxyadenosine C10H13N5O3 0 C00559 13730 17256 OLXZPDWKRNYJJZ-RRKCRQDMSA-N HMDB00101 02/07/2014 Nucleotide interconversion dad_5 5-Deoxyadenosine C10H13N5O3 0 C05198 439182 XGYIMTFOTBMPFP-KQYNXXCUSA-N HMDB01983 02/07/2014 Arginine and proline metabolism dadp dADP C10H12N5O9P2 -3 C00206 53477733 16174 DAEAPNUQQAICNR-RRKCRQDMSA-K HMDB01508 02/07/2014 Aminosugar metabolism dag_hs diglyceride C3H6OFULLRCO2FULLR2CO2 0 XIAZEYRSKHAPND-QEFFJBJBSA-N 02/07/2014 Fatty acid oxidation dag_LPL 1_2_Diacylglycerol__LPL_specific X 0 02/07/2014 dagly 2,2-Dialkylglycine C2H2NO2R2 -1 19/09/2018 Xenobiotics metabolism dahblstcdns Deaminohydroxyblasticidin S C17H26N7O6 1 19/09/2018 Xenobiotics metabolism dai15peam Dianteisopentadecanoylphosphatidylethanolamine C35H68NO8P C35H68NO8P 0 02/07/2014 dai15pglyc Dianteisopentadecanoylphosphatidylglycerol C36H71O10P C36H70O10P -1 02/07/2014 dai15pgp Dianteisopentadecanoylphosphatidylglycerophosphate C36H72O13P2 C36H69O13P2 -3 02/07/2014 dai15pser Dianteisopentadecanoylphosphatidylserine C36H70NO10P C36H68NO10P -2 02/07/2014 dai17peam Dianteisoheptadecanoylphosphatidylethanolamine C39H78NO8P C39H78NO8P 0 02/07/2014 dai17pglyc Dianteisoheptadecanoylphosphatidylglycerol C40H79O10P C40H78O10P -1 02/07/2014 dai17pgp Dianteisoheptadecanoylphosphatidylglycerophosphate C40H80O13P2 C40H77O13P2 -3 02/07/2014 dai17pser Dianteisoheptadecanoylphosphatidylserine C40H78NO10P C40H76NO10P -2 02/07/2014 dak2gpe_hs 1-alkenyl 2-acylglycerol 3-phosphoethanolamine plasmalogen C7H14O5NPFULLRFULLR2CO 0 C04756 52925046 FDULCEKAOVWBTQ-PXOIRPRXSA-N HMDB0011158 02/07/2014 Glycerophospholipid metabolism daktn Dialkyl ketone COR2 0 19/09/2018 Xenobiotics metabolism damna D-Amino acid C2H3NO2R -1 19/09/2018 D-Arginine and D-ornithine metabolism damp dAMP(2-) C10H12N5O6P -2 C00360 12599 17713 KHWCHTKSEGGWEX-RRKCRQDMSA-L HMDB00905 02/07/2014 Nucleotide interconversion dann 7,8-Diaminononanoate C9H21N2O2 1 C01037 5460128 02/07/2014 Biotin metabolism dap Dialkyl phosphate O4PR2 -1 19/09/2018 Aminobenzoate degradation datp dATP C10H12N5O12P3 -4 C00131 15993 16284 SUYVUBYJARFZHO-RRKCRQDMSA-J HMDB01532 02/07/2014 Aminosugar metabolism db4p 3,4-dihydroxy-2-butanone 4-phosphate C4H7O6P -2 02/07/2014 Vitamin B2 metabolism dbnzfn Dibenzofuran C12H8O 0 19/09/2018 Xenobiotics metabolism dbnzpd Dibenzo-p-dioxin C12H8O2 0 19/09/2018 Xenobiotics metabolism dc2coa trans-Dec-2-enoyl-CoA C31H48N7O17P3S -4 C05275 5280768 61406 MGNBGCRQQFMNBM-YJHHLLFWSA-J HMDB03948 02/07/2014 Fatty acid oxidation dca Decanoate (n-C10:0) C10H19O2 -1 C01571 2969 GHVNFZFCNZKVNT-UHFFFAOYSA-M HMDB00511 02/07/2014 Fatty acid oxidation dca24g Deoxycholic acid-24glucuronide, CDA-24G C30H47O10 -1 03/01/2017 Bile acid synthesis dca3g Deoxycholic acid-3glucuronide, CDA-3G C30H47O10 -1 C03033 53477755 NNEIBJNHWVDJBA-WJQHFXMBSA-N HMDB02596 03/01/2017 Bile acid synthesis dca3s Deoxycholic acid 3-sulfate C24H38O7S -2 03/01/2017 Bile acid synthesis dcaACP Decanoyl-ACP (n-C10:0ACP) C21H39N2O8PRS -1 02/07/2014 Fatty acid oxidation dcacoa Decanoyl-CoA (n-C10:0CoA) C31H50N7O17P3S -4 C05274 440615 61430 CNKJPHSEFDPYDB-HSJNEKGZSA-J HMDB06404 02/07/2014 Fatty acid oxidation dcamp N6-(1,2-Dicarboxyethyl)-AMP C14H14N5O11P -4 C03794 440122 15919 OFBHPPMPBOJXRT-DPXQIYNJSA-J HMDB00536 02/07/2014 Nucleotide interconversion dcdp dCDP C9H12N3O10P2 -3 C00705 150855 28846 FTDHDKPUHBLBTL-SHYZEUOFSA-K HMDB01245 02/07/2014 NAD metabolism dcf Diclofenac C14H11Cl2NO2 C14H10Cl2NO2 -1 C01690 3033 01/03/2019 Drug metabolism dcf_glc Diclofenac Acyl Glucuronide C20H19Cl2NO8 C20H18Cl2NO8 -1 16084218 01/03/2019 Drug metabolism dchac deoxycholic acid C24H39O4 -1 C04483 222528 28834 KXGVEGMKQFWNSR-LLQZFEROSA-M HMDB00626 02/07/2014 Bile acid metabolism dchlmthn Dichloromethane CH2Cl2 CH2Cl2 0 19/09/2018 Xenobiotics metabolism dchlp Dolichol phosphate C15H28O4P -1 19/09/2018 dcholcoa chenodeoxycholoyl coenzyme a C45H70N7O19P3S -4 C05337 11966205 28701 IIWDDMINEZBCTG-RUAADODMSA-J HMDB06292 02/07/2014 Bile acid metabolism dclbnzn 1,4-Dichlorobenzene C6H4Cl2 0 19/09/2018 Xenobiotics metabolism dclcmold 2,5-Dichloro-carboxymethylenebut-2-en-4-olide C6HO4Cl2 -1 19/09/2018 Xenobiotics metabolism dcldhcd 3,6-Dichloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H6O2Cl2 0 19/09/2018 Xenobiotics metabolism dclt Dicarboxylate C3H2O4 -2 19/09/2018 Miscellaneous dcmp dCMP C9H12N3O7P -2 C00239 13945 15918 NCMVOABPESMRCP-SHYZEUOFSA-L HMDB01202 02/07/2014 Nucleotide interconversion dcsdcoa (13Z,16Z)-Docosadi-13,16-enoyl-CoA C43H71N7O17P3S -3 19/09/2018 Fatty acid oxidation dcsdnt 13,16-Docosadienoic acid C22H39O2 -1 19/09/2018 Fatty acid oxidation dcsptn1 docosa-4,7,10,13,16-pentaenoic acid C22H33O2 -1 159656 65136 AVKOENOBFIYBSA-WMPRHZDHSA-M HMDB13123 02/07/2014 Fatty acid synthesis dcsptn1coa docosa-4,7,10,13,16-pentaenoyl coenzyme A C43H64N7O17P3S -4 C16173 53477845 QKBTYZDPVNTERQ-UWVCYPHHSA-J HMDB06513 02/07/2014 Fatty acid oxidation dcsptn1crn docosa-4,7,10,13,16-pentaenoyl carnitine C29H47NO4 0 KRXOUZZWQXTUIB-IDERWEGCSA-N HMDB06321 02/07/2014 Fatty acid oxidation dctp dCTP C9H12N3O13P3 -4 C00458 65091 16311 RGWHQCVHVJXOKC-SHYZEUOFSA-J HMDB00998 02/07/2014 NAD metabolism dcyt Deoxycytidine C9H13N3O4 0 C00881 13711 15698 CKTSBUTUHBMZGZ-SHYZEUOFSA-N HMDB00014 02/07/2014 Nucleotide interconversion dd2coa trans-Dodec-2-enoyl-CoA C33H52N7O17P3S -4 C03221 45266564 57330 IRFYVBULXZMEDE-KDPBKMHJSA-J HMDB03712 02/07/2014 Fatty acid oxidation dd3coa cis-dodec-3-enoyl-CoA(4-) C33H52N7O17P3S -4 C02944 16061154 58543 XEMIVMKTVGRFTD-YPWFGKPMSA-J HMDB04257 02/07/2014 Fatty acid oxidation dd5ecoa 5-dodecenoylcoa C33H52N7O17P3S -4 RCVJZGBRLGUTKT-GMHMEAMDSA-J 02/07/2014 Fatty acid oxidation ddca laurate C12H23O2 -1 C02679 3893 30805 POULHZVOKOAJMA-UHFFFAOYSA-M HMDB00638 02/07/2014 Cytochrome metabolism ddcaACP Dodecanoyl-ACP (n-C12:0ACP) C23H43N2O8PRS -1 C05223 16759 02/07/2014 Fatty acid oxidation ddcacoa Dodecanoyl-CoA (n-C12:0CoA) C33H54N7O17P3S -4 C01832 165436 15521 YMCXGHLSVALICC-GMHMEAMDSA-J HMDB03571 02/07/2014 Fatty acid oxidation ddea Di-N-Desethylamiodarone (DDEA) C21H21I2NO3 C21H22I2NO3 1 125134 01/03/2019 Drug metabolism ddea_glc Di-N-Desethylamiodarone Glucuronide Conjugate (DDEA_Glc) C27H29I2NO9 C27H29I2NO9 0 01/03/2019 Drug metabolism ddeacp Dodecanoyl_acyl_carrier_protein C12H22OX 0 02/07/2014 ddeccrn lauroyl carnitine C19H37NO4 0 168381 FUJLYHJROOYKRA-QGZVFWFLSA-N HMDB02250 02/07/2014 Fatty acid oxidation ddece1crn dodecenoyl carnitine C19H35NO4 0 ZBZBZKZOFHGNRD-KHPPLWFESA-N 02/07/2014 Fatty acid oxidation ddsmsterol 7-dehydrodesmosterol C27H42O 0 C05107 440558 27910 RUSSPKPUXDSHNC-DDPQNLDTSA-N HMDB03896 02/07/2014 Cholesterol metabolism ddzn Daidzein C15H10O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism deacvind Deacetylvindoline C23H30N2O5 C23H31N2O5 1 C01091 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism deatrzn Deethylatrazine C6H10N5Cl 0 19/09/2018 Xenobiotics metabolism debrisoquine debrisoquine C10H14N3 1 C13650 2966 34665 JWPGJSVJDAJRLW-UHFFFAOYSA-O HMDB06543 02/07/2014 Cytochrome metabolism dec24dicoa 2,4-decadienoylcoa C31H46N7O17P3S -4 22833562 FASAKYLWSRDQOH-IKZSJNQUSA-J HMDB01168 02/07/2014 Fatty acid oxidation dec47dicoa 4,7-decadienoylcoa C31H46N7O17P3S -4 JOAASQDQFUATHD-UBZDSFGCSA-J 02/07/2014 Fatty acid oxidation decacp Decanoyl_acyl_carrier_protein C10H18OX 0 02/07/2014 decdicoa decadienoylcoa C31H46N7O17P3S -4 22833562 FASAKYLWSRDQOH-IKZSJNQUSA-J HMDB01168 02/07/2014 Fatty acid oxidation decdicrn decadienoyl carnitine C17H29NO4 0 53481669 GDMITEPIMYKPHX-USKNYQQNSA-N HMDB0013325 02/07/2014 Fatty acid oxidation decdp all trans Decaprenyl diphosphate C50H81O7P2 -3 FSCYHDCTHRVSKN-CMVHWAPMSA-K HMDB06288 02/07/2014 Cell wall biosynthesis dece3coa 3-decenoylcoa C31H48N7O17P3S -4 16019966 29126 CQGVNMQHZQJNII-ZJZQAHHTSA-J HMDB02137 02/07/2014 Fatty acid oxidation dece4coa 4-decenoylcoa C31H48N7O17P3S -4 6443609 QTOYQSMKQWCWOX-CCVVLBLYSA-J HMDB02145 02/07/2014 Fatty acid oxidation dectricoa 2,4,7-decatrienoylcoa C31H44N7O17P3S -4 PIWBOAMNPNENCR-DRJHSFDESA-J 02/07/2014 Fatty acid oxidation dedol_L Dehydrodolichol, human liver homolog C1080H1748O10 0 02/07/2014 N-glycan synthesis dedol_U Dehydrodolichol, human uterine homolog C1025H1660O10 0 02/07/2014 N-glycan synthesis dedoldp_L Dehydrodolichol diphosphate, human liver homolog C1080H1738O70P20 -30 C05859 JMVSBFJBMXQNJW-PSTDWBAXSA-K 02/07/2014 N-glycan synthesis dedoldp_U Dehydrodolichol diphosphate, human uterine homolog C1025H1650O70P20 -30 C05859 JMVSBFJBMXQNJW-PSTDWBAXSA-N 02/07/2014 N-glycan synthesis dedolp_L Dehydrodolichol phosphate, human liver homolog C1080H1738O40P10 -20 HFKYPWAIIDKYIF-PSTDWBAXSA-N 02/07/2014 N-glycan synthesis dedolp_U Dehydrodolichol phosphate, human uterine homolog C1025H1650O40P10 -20 JMVSBFJBMXQNJW-PSTDWBAXSA-N 02/07/2014 N-glycan synthesis dem2emgacpail_prot_hs deacylated-(phosphoethanolaminyl-dimannosyl),(phosphoethanolaminyl)-mannosyl-glucosaminyl-acylphosphatidylinositol C37H70N3O34P3FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism deoxfvs deoxy-fluvastatin-dinor C22H21FNNaO2 C22H21FNNaO2 0 02/07/2014 Drug metabolism dept Diethylphosphoric acid C4H10O4P -1 19/09/2018 Xenobiotics metabolism des_astzl Desmethylastemizole C27H29FN4O C27H31FN4O 2 155805 01/03/2019 Drug metabolism des_astzl_glc Desmethylastemozole Glucuronide C33H37FN4O7 C33H38FN4O7 1 01/03/2019 Drug metabolism desfvs N-desisopropyl-fluvastatin C21H19FNNaO4 C21H19FNNaO4 0 02/07/2014 Drug metabolism detpt Diethylthiophosphoric acid C4H10O3PS -1 19/09/2018 Xenobiotics metabolism dextran40 Dextran 40, 1,6-alpha-D-Glucan C480H800O400 0 C00372 3662 02/07/2014 Plant polysaccharide degradation dextrin Dextrin C36H62O31 0 C00721 HMDB06857 02/07/2014 Starch and sucrose metabolism dfdcytd Gemcitabine C9H11F2N3O4 C9H11F2N3O4 0 C07650 01/03/2019 Drug metabolism dfduri 2,2-Difluorodeoxyuridine C9H10F2N2O5 C9H10F2N2O5 0 67279059 01/03/2019 Drug metabolism dfucnt D-Fuconate C6H11O6 -1 19/09/2018 N-glycan degradation dg14bgr D-Galactosyl-1,4-beta-D-glucosyl-R C12H21O11R 0 19/09/2018 N-glycan degradation dgal6p 6-Phospho-D-galactose C6H13O9P C6H11O9P -2 02/07/2014 Galactose metabolism dgaldagl D-Galactosyldiacylglycerol C11H16O10R2 0 19/09/2018 Galactose metabolism dgalrnt1p D-Galacturonate 1-phosphate C6H8O10P C6H9O10P -2 19/09/2018 Pentose and glucuronate interconversions dgbgalbgr D-Galactosyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosyl-R C18H31O16R 0 19/09/2018 N-glycan degradation dgchol glycochenodeoxycholate C26H43NO5 0 C05466 22833540 36274 GHCZAUBVMUEKKP-GYPHWSFCSA-N HMDB00637 02/07/2014 Bile acid metabolism dgcholcoa Chenodeoxyglycocholoyl-CoA C45H70N7O19P3S -4 C05461 440685 IIWDDMINEZBCTG-ILLDALFMSA-J HMDB06897 02/07/2014 Bile acid synthesis dgdag_LPL Diglucosyl_diacylglycerol X 0 02/07/2014 dgdp dGDP C10H12N5O10P2 -3 C00361 439220 28862 CIKGWCTVFSRMJU-KVQBGUIXSA-K HMDB00960 02/07/2014 Glycolysis/gluconeogenesis dgggp Digeranylgeranylglyceryl phosphate C43H71O6P1 C43H71O6P -2 13/05/2020 Glycerophospholipid metabolism dgggps 2,3-di-O-geranylgeranyl-sn-glyceroserine C46H77N1O8P1 C46H77NO8P -1 13/05/2020 Glycerophospholipid metabolism dggpg 2,3-di-O-geranyl-sn-glycerol-1-phospho-3'-sn-glycerol C46H78O8P1 C46H78O8P -1 13/05/2020 Glycerophospholipid metabolism dggpgp 2,3-di-O-geranyl-sn-glycerol-1-phospho-3'-sn-glycerol phosphate C46H77O11P2 C46H77O11P2 -3 13/05/2020 Glycerophospholipid metabolism dggpi 2,3-di-O-geranyl-sn-glycero-1-phospho-myo-inositol C49H82O11P1 C49H82O11P -1 13/05/2020 Glycerophospholipid metabolism dglc62lctn D-Glucurono-6,2-lactone C6H8O6 0 19/09/2018 Pentose and glucuronate interconversions dglsd D-Glucoside C6H11O6R 0 19/09/2018 N-glycan degradation dglt Digallate C14H9O9 C14H9O9 -1 19/09/2018 Aminobenzoate degradation dgmlp D-Glutamyl-peptide C5H8N2O3R -1 19/09/2018 Glutamate metabolism dgmp dGMP C10H12N5O7P -2 C00362 65059 16192 LTFMZDNNPPEQNG-KVQBGUIXSA-L HMDB01044 02/07/2014 Nucleotide interconversion dgpi_prot_hs deacylated-glycophosphatidylinositol (GPI)-anchored protein C39H76N4O37P4FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism dgsldag Digalactosyl-diacylglycerol C17H26O15R2 0 19/09/2018 Galactose metabolism dgsn Deoxyguanosine C10H13N5O4 0 C00330 187790 17172 YKBGVTZYEHREMT-KVQBGUIXSA-N HMDB00085 02/07/2014 Nucleotide interconversion dgtp dGTP C10H12N5O13P3 -4 C00286 65103 16497 HAAZLUGHYHWQIW-KVQBGUIXSA-J HMDB01440 02/07/2014 Glycolysis/gluconeogenesis dh3oent 7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate C24H35O5 -1 19/09/2018 Bile acid metabolism dh5fura 5,6-Dihydro-5-fluorouracil C4H5N2O2F 0 19/09/2018 Drug metabolism dh5mchdc 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate C8H9O4 -1 19/09/2018 Benzoate degradation dh6mc35dn 1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate C8H9O4 -1 19/09/2018 Xenobiotics metabolism dh6na 1,4-dihydroxy-6-naphthoate C11H8O4 C11H7O4 -1 C17018 96023499 64254 Oc1ccc(O)c2cc(ccc12)C([O-])=O 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis dh8mnp 1,2-Dihydroxy-8-methylnaphthalene C11H10O2 0 19/09/2018 Xenobiotics metabolism dha glycerone C3H6O3 0 C00184 670 16016 RXKJFZQQPQGTFL-UHFFFAOYSA-N HMDB01882 02/07/2014 Glycerophospholipid metabolism dhamstilb 4,4-Dihydroxy-alpha-methylstilbene C15H14O2 C15H14O2 0 C13632 01/07/2019 Xenobiotics metabolism dhap Dihydroxyacetone phosphate C3H5O6P -2 C00111 668 16108 GNGACRATGGDKBX-UHFFFAOYSA-L HMDB01473 02/07/2014 Fructose and mannose metabolism dhbpt 6,7-dihydrobiopterin C9H13N5O3 0 C00268 133246 64277 ZHQJVZLJDXWFFX-UHFFFAOYSA-N HMDB02215 02/07/2014 Phenylalanine metabolism dhbsfnt 2,3-Dihydroxybenzenesulfonate C6H5O5S -1 19/09/2018 Xenobiotics metabolism dhchd1c 1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate C7H7O4 -1 19/09/2018 Benzoate degradation dhcholestanate 3alpha,7alpha-Dihydroxy-5beta-cholestanate C27H45O4 -1 C04554 53477686 16577 ITZYGDKGRKKBSN-HKFUITGCSA-M HMDB00359 02/07/2014 Bile acid synthesis dhcholestancoa 3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA C48H76N7O19P3S -4 C04644 440420 15494 SBYLHTNKEWSLBA-UVNMPUASSA-J HMDB02159 02/07/2014 Bile acid synthesis dhcholoylcoa 3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA C48H74N7O19P3S -4 C05447 5280796 27393 SEBZZAWTQNNGPK-ZAVIOYSRSA-J HMDB06895 02/07/2014 Bile acid synthesis dhcinnm 2,3-dihydroxicinnamic acid C9H7O4 -1 02/07/2014 Phenylalanine metabolism dhcmnt Dihydroclavaminate C8H12N2O4 0 19/09/2018 Clavulanic acid biosynthesis dhcrm_hs dihydroceramide C18H38NO2FULLRCO 0 31488 KZTJQXAANJHSCE-OIDHKYIRSA-N 02/07/2014 Glycosphingolipid metabolism dhdascb dehydroascorbide(1-) C6H6O6 0 C00425 210328 17242 SBJKKFFYIZUCET-UHFFFAOYSA-N HMDB01264 02/07/2014 Eicosanoid metabolism dhdh8cnp cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene C11H9O4 -1 19/09/2018 Xenobiotics metabolism dhdhmnp cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene C11H12O2 0 19/09/2018 Xenobiotics metabolism dhdpacoa cis-dihydrodiol derivative of phenylacetyl-CoA C29H44N7O20P3S C29H40N7O20P3S -4 C19945 18/03/2015 Phenylalanine metabolism dhea 3beta-hydroxyandrost-5-en-17-one C19H28O2 0 C01227 9860744 28689 FMGSKLZLMKYGDP-USOAJAOKSA-N HMDB00077 02/07/2014 Steroid hormone biosynthesis dheas 3beta-hydroxyandrost-5-en-17-one 3-sulfate(1-) C19H27O5S -1 C04555 12594 16814 CZWCKYRVOZZJNM-USOAJAOKSA-M HMDB01032 02/07/2014 Steroid metabolism dhf 7,8-Dihydrofolate C19H19N7O6 -2 C00415 98792 15633 OZRNSSUDZOLUSN-LBPRGKRZSA-L HMDB01056 02/07/2014 Folate metabolism dhflvn 7,4-Dihydroxyflavanone C15H12O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dhglz dehydro-gliclazide C15H19N3O3S C15H18N3O3S -1 02/07/2014 Drug metabolism dhhmnp 1,2-Dihydroxy-7-hydroxymethylnaphthalene C11H10O3 0 19/09/2018 Xenobiotics metabolism dhlam dihydrolipoamide C8H17NOS2 0 C00579 663 17694 VLYUGYAKYZETRF-UHFFFAOYSA-N HMDB00985 02/07/2014 Citric acid cycle dhlpro Dihydrolipolprotein H2S2X 0 C02972 16194 02/07/2014 Glycine, serine, alanine, and threonine metabolism dhmmthn Dihomomethionine C7H15NO2S 0 19/09/2018 Glucosinolate biosynthesis dhmoifvn 2,7-Dihydroxy-4-methoxyisoflavanone C16H14O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dhmphze Dihydromethanophenazine C37H52N2O C37H52N2O 0 02/07/2014 Methane metabolism dhmptp dihydromonapterin-triphosphate C9H12N5O13P3 -4 02/07/2014 dhmtp 1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One C6H10O3S C6H9O3S -1 C15606 17396598 49252 CILXJJLQPTUUSS-XQRVVYSFSA-M CSCCC(=O)C(\O)=C\O HMDB12134 02/07/2014 Methionine and cysteine metabolism dhna 1,4-Dihydroxy-2-naphthoate C11H7O4 -1 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis dhnacoa 1,4-Dihydroxy-2-naphthoyl-CoA C32H38N7O19P3S -4 C15547 14/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis dhnpt Dihydroneopterin C9H13N5O4 0 HMDB02275 02/07/2014 Folate metabolism dhocholoylcoa 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane C48H74N7O20P3S -4 02/07/2014 dhodcnt (9S,10S)-9,10-Dihydroxyoctadecanoate C18H35O4 -1 19/09/2018 Fatty acid oxidation dhor_S (S)-dihydroorotate C5H5N2O4 -1 C00337 648 17025 UFIVEPVSAGBUSI-REOHCLBHSA-M HMDB00528 02/07/2014 Pyrimidine catabolism dhpglnl Dihydrophloroglucinol C6H8O3 0 19/09/2018 Aminobenzoate degradation dhpmp Dihydroneopterin monophosphate C9H12N5O7P -2 02/07/2014 Folate metabolism dhpppn 3-(2,3-Dihydroxyphenyl)propanoate C9H9O4 -1 02/07/2014 Phenylalanine metabolism dhpt Dihydropteroate C14H13N6O3 -1 HMDB01412 02/07/2014 Folate metabolism dhptd 4,5-dihydroxy-2,3-pentanedione C5H8O4 0 02/07/2014 Methionine and cysteine metabolism dhrfap 7,8-dihydropterin-6-ylmethyl-4-(B-D-ribofuranosyl) aminobenzene 5-phosphate C18H21N6O8P -2 02/07/2014 dhsngnrn Dihydrosanguinarine C20H15NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis dhsql Dehydrosqualene C30H48 C30H48 0 02/07/2014 Cholesterol metabolism dhxft Dehypoxanthine futalosinate C14H16O7 C14H15O7 -1 C17010 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis di14peam Diisotetradecanoylphosphatidylethanolamine C33H66NO8P C33H66NO8P 0 02/07/2014 di14pglyc Diisotetradecanoylphosphatidylglycerol C34H67O10P C34H66O10P -1 02/07/2014 di14pgp Diisotetradecanoylphosphatidylglycerophosphate C34H68O13P2 C34H65O13P2 -3 02/07/2014 di14pser Diisotetradecanoylphosphatidylserine C34H66NO10P C34H64NO10P -2 02/07/2014 di15peam Diisopentadecanoylphosphatidylethanolamine C35H70NO8P C35H70NO8P 0 02/07/2014 di15pglyc Diisopentadecanoylphosphatidylglycerol C36H71O10P C36H70O10P -1 02/07/2014 di15pgp Diisopentadecanoylphosphatidylglycerophosphate C36H72O13P2 C36H69O13P2 -3 02/07/2014 di15pser Diisopentadecanoylphosphatidylserine C36H70NO10P C36H68NO10P -2 02/07/2014 di16peam Diisohexadecanoylphosphatidylethanolamine C37H74NO8P C37H74NO8P 0 02/07/2014 di16pglyc Diisohexadecanoylphosphatidylglycerol C38H75O10P C38H74O10P -1 02/07/2014 di16pgp Diisohexadecanoylphosphatidylglycerophosphate C38H76O13P2 C38H73O13P2 -3 02/07/2014 di16pser Diisohexadecanoylphosphatidylserine C38H74NO10P C38H72NO10P -2 02/07/2014 di17peam Diisoheptadecanoylphosphatidylethanolamine C39H78NO8P C39H78NO8P 0 02/07/2014 di17pglyc Diisoheptadecanoylphosphatidylglycerol C40H79O10P C40H78O10P -1 02/07/2014 di17pgp Diisoheptadecanoylphosphatidylglycerophosphate C40H80O13P2 C40H77O13P2 -3 02/07/2014 di17pser Diisoheptadecanoylphosphatidylserine C40H78NO10P C40H76NO10P -2 02/07/2014 diact Diacetyl C4H6O2 0 C00741 650 QSJXEFYPDANLFS-UHFFFAOYSA-N HMDB03407 02/07/2014 Pyruvate metabolism didecaeth C12:0-Ethanolamide, Didecanoyl Ethanolamide C14H29NO2 0 QZXSMBBFBXPQHI-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism didp dIDP C10H11N4O10P2 -3 C01344 439488 28823 BKUSIKGSPSFQAC-RRKCRQDMSA-K HMDB03536 02/07/2014 Nucleotide interconversion digalsgalside_hs Digalactosylceramidesulfate C30H55NO15SFULLRCO -1 C06127 02/07/2014 Sphingolipid metabolism digalside_hs Digalactosylceramide C30H56NO12FULLRCO 0 C06126 20057273 YVBUQOZKCCPFCZ-VTAAUCPCSA-N HMDB04832 02/07/2014 Glycosphingolipid metabolism digitoxin Digitoxin C41H64O13 C41H63O13 -1 C06955 441207 01/03/2019 Drug metabolism diglcpg140 Diglucosyl-1,2 dimyristoylglycerol C43H80O15 0 02/07/2014 Cell wall biosynthesis diglcpg160 Diglucosyl-1,2 dipalmitoylglycerol C47H88O15 0 02/07/2014 Cell wall biosynthesis diglcpg180 Diglucosyl-1,2 distearoylglycerol C51H96O15 0 02/07/2014 Cell wall biosynthesis diglcpgai15 Diglucosyl-1,2 dianteisopentadecanoylglycerol C45H84O15 0 02/07/2014 Cell wall biosynthesis diglcpgai17 Diglucosyl-1,2 dianteisoheptadecanoylglycerol C49H92O15 0 02/07/2014 Cell wall biosynthesis diglcpgi14 Diglucosyl-1,2 diisotetradecanoylglycerol C43H80O15 0 02/07/2014 Cell wall biosynthesis diglcpgi15 Diglucosyl-1,2 diisopentadecanoylglycerol C45H84O15 0 02/07/2014 Cell wall biosynthesis diglcpgi16 Diglucosyl-1,2 diisohexadecanoylglycerol C47H88O15 0 02/07/2014 Cell wall biosynthesis diglcpgi17 Diglucosyl-1,2 diisoheptadecanoylglycerol C49H92O15 0 02/07/2014 Cell wall biosynthesis diglyceride_prolpp Diglyceride Braun prolipoprotein C382H661N112O122S3 0 02/07/2014 digoxin Digoxin C41H64O14 C41H63O14 -1 C06956 2724385 01/03/2019 Drug metabolism digoxin_glc Digoxin 16-Glucuronide C47H72O20 C47H71O20 -1 3081551 01/03/2019 Drug metabolism diholineth Dihomo-Gamma-Linolenoyl Ethanolamide C22H39NO2 0 ULQWKETUACYZLI-YHTMAJSVSA-N 03/01/2017 Glycerophospholipid metabolism dihydro_digitoxin 20,22-Dihydrodigitoxin C41H66O13 C41H65O13 -1 19621 01/03/2019 Drug metabolism dihydro_digoxin Dihydrodigoxin C41H66O14 C41H66O14 0 92043458 01/03/2019 Drug metabolism dimp 2-deoxyinosine 5-phosphate(2-) C10H11N4O7P -2 C06196 91531 28806 PHNGFPPXDJJADG-RRKCRQDMSA-L HMDB06555 02/07/2014 Nucleotide interconversion din Deoxyinosine C10H12N4O4 0 C05512 65058 28997 VGONTNSXDCQUGY-RRKCRQDMSA-N HMDB00071 02/07/2014 Nucleotide interconversion dipatrzn Deisopropylatrazine C5H8N5Cl 0 19/09/2018 Xenobiotics metabolism dipdeatrzn Deisopropyldeethylatrazine C3H4N5Cl 0 19/09/2018 Xenobiotics metabolism diphatzn Deisopropylhydroxyatrazine C5H9N5O 0 19/09/2018 Xenobiotics metabolism disop Diisopropyl phosphate C6H14O4P C6H14O4P -1 19/09/2018 Xenobiotics metabolism ditp dITP(4-) C10H11N4O13P3 -4 C01345 146302 28807 UFJPAQSLHAGEBL-RRKCRQDMSA-J HMDB03537 02/07/2014 Nucleotide interconversion dkdglcn 2,5-Diketo-3-deoxy-D-gluconate C6H7O6 -1 02/07/2014 Pentose and glucuronate interconversions dkdi D-2,3-Diketo 4-deoxy-epi-inositol C6H8O5 0 02/07/2014 Inositol phosphate metabolism dkfp 1-Deoxy-D-threo-hexo-2,5-diulose 6-phosphate C6H9O8P -2 C16848 21/05/2021 Phenylalanine metabolism dkmpp 2,3-diketo-5-methylthio-1-phosphopentane C6H9O6PS -2 C15650 561 50604 HKEAOVFNWRDVAJ-UHFFFAOYSA-L HMDB0059620 02/07/2014 Arginine and proline metabolism dl2acdval delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine C14H24N3O6S -1 19/09/2018 Valine, leucine, and isoleucine metabolism dlb Deleobuvir C34H33BrN6O3 C34H32BrN6O3 -1 56948249 01/03/2019 Drug metabolism dlb_glc Deleobuvir Glucuronide C40H41BrN6O9 C40H41BrN6O9 0 01/03/2019 Drug metabolism dlg1p DL-Glyceryl 1-phosphate C3H8O6P -1 19/09/2018 Glycerophospholipid metabolism dlnlcg dihomo-gamma-linolenic acid (n-6) C20H33O2 -1 C03242 5280581 53486 HOBAELRKJCKHQD-QNEBEIHSSA-M HMDB02925 02/07/2014 Fatty acid oxidation dlnlcgcoa dihomo-gamma-linolenyl coenzyme A C41H64N7O17P3S -4 C03595 16061156 27979 FJWJALRUNNZIBB-DDQUOPDJSA-J HMDB03947 02/07/2014 Fatty acid oxidation dlnlcgcrn dihomo-gamma-linolenyl carnitine C27H47NO4 0 C06426 5280933 VZCCETWTMQHEPK-NPLRDPCCSA-N HMDB03073 02/07/2014 Fatty acid oxidation dma Dimethylamine C2H7N C2H8N 1 C00543 674 ROSDSFDQCJNGOL-UHFFFAOYSA-N HMDB00087 02/07/2014 Glyoxylate and dicarboxylate metabolism dmamnben Dimethylaminobenzene C8H11N 0 19/09/2018 Xenobiotics metabolism dmantipyrine demethylated antipyrine C10H10N2O 0 C13008 70335 31530 KZQYIMCESJLPQH-UHFFFAOYSA-N HMDB06240 02/07/2014 Cytochrome metabolism dmbzid 5,6-Dimethylbenzimidazole C9H10N2 0 HMDB03701 02/07/2014 NAD metabolism dmf DMF|N,N-Dimethylmethanamide|N,N-Dimethylformamide C3H7NO 0 19/09/2018 Glyoxylate and dicarboxylate metabolism dmgly N,N-dimethylglycine C4H9NO2 0 C01026 673 17724 FFDGPVCHZBVARC-UHFFFAOYSA-N HMDB00092 02/07/2014 Glycine, serine, alanine, and threonine metabolism dmhepcoa 2,6-dimethyl heptanoylcoa C30H48N7O17P3S -4 53477808 GPXWBKWDXPBLKS-MKXQCCAMSA-J HMDB06258 02/07/2014 Fatty acid oxidation dmhptcoa 2,6 dimethylheptanoyl-CoA C30H52N7O17P3S -4 GPXWBKWDXPBLKS-LNSOOWQSSA-J HMDB06258 02/07/2014 Fatty acid oxidation dmhptcrn 2,6 dimethylheptanoyl carnitine C16H35NO4 0 53477823 QBYXBONNCVATNQ-ARLHGKGLSA-O HMDB06320 02/07/2014 Fatty acid oxidation dmlarg NG,NG-Dimethyl-L-arginine C8H18N4O2 C8H19N4O2 1 C03626 123831 YDGMGEXADBMOMJ-LURJTMIESA-N HMDB01539 02/07/2014 Others dmlgnc dimethyl lignoceric acid C26H51O2 -1 12/11/2020 Fatty acid synthesis dmlz 6,7-Dimethyl-8-(1-D-ribityl)lumazine C13H18N4O6 0 HMDB03826 02/07/2014 Vitamin B2 metabolism dmnoncoa 4,8 dimethylnonanoyl-CoA C32H54N7O17P3S -4 YGNKJFPEXQCWDB-ANHZDMDASA-J HMDB11604 02/07/2014 Fatty acid oxidation dmnoncrn 4,8-dimethylnonanoyl carnitine C18H37NO4 0 63874 DDTDJDZHDFMZED-OEMAIJDKSA-N HMDB06202 02/07/2014 Fatty acid oxidation dmphqno Demethylphylloquinone C30H44O2 C30H44O2 0 HMDB04649 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis dmpp Dimethylallyl diphosphate C5H9O7P2 -3 C00235 647 16057 CBIDRCWHNCKSTO-UHFFFAOYSA-K HMDB01120 02/07/2014 Cholesterol metabolism dms Dimethyl sulfide C2H6S 0 C00580 1068 QMMFVYPAHWMCMS-UHFFFAOYSA-N HMDB02303 02/07/2014 Respiration dmso Dimethyl sulfoxide C2H6OS 0 C11143 679 IAZDPXIOMUYVGZ-UHFFFAOYSA-N HMDB02151 02/07/2014 Respiration dmspdn Demethylspheroidene C40H58O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dmthgxl 2,3-Butanedione, Dimethylglyoxal C4H6O2 C4H6O2 0 02/07/2014 dmxsprln 5,8-Dimethoxypsoralen C13H10O5 0 19/09/2018 Isoquinoline alkaloid biosynthesis dna DNA C10H17O8PR2 0 C00039 16991 02/07/2014 DNA_LLA DNA_composition__lactis_specific_ C982H1132N368O600P100 0 02/07/2014 DNA_LPL DNA__LPL_specific X 0 02/07/2014 DNA_STU DNA_of_S_thermophilus C9805H11305N3695O6000P1000 0 02/07/2014 dna5mtc DNA 5-methylcytosine C11H19O8PR2 0 C02967 02/07/2014 Methionine and cysteine metabolism dnaadn DNA adenine C20H27N5O16P3R2 -3 19/09/2018 Nucleotide sugar metabolism dnacsn DNA cytosine X C10H17O8PR2 0 30/09/2014 Methionine and cysteine metabolism dnad Deamino-NAD+ C21H24N6O15P2 -2 C00857 165491 18304 SENPVEZBRZQVST-HISDBWNOSA-L HMDB01179 02/07/2014 NAD metabolism dnadafpyr DNA 4,6-diamino-5-formamidopyrimidine C20H29N5O17P3R2 -3 19/09/2018 Purine catabolism dnarep DNA replication X X 0 30/09/2014 dnpz_5des 5-O-Desmethyl Donepezil C23H27NO3 C23H28NO3 1 11503234 01/03/2019 Drug metabolism dnpz_6des 6-O-Desmethyldonepezil C23H27NO3 C23H28NO3 1 14553555 01/03/2019 Drug metabolism dnpz_m11 Donepezil Metabolite M11 C29H35NO9 C29H35NO9 0 01/03/2019 Drug metabolism dnpz_m12 Donepezil Metabolite M12 C29H35NO9 C29H35NO9 0 01/03/2019 Drug metabolism dnpz_m13 Donepezil Metabolite M13 C28H33NO9 C28H33NO9 0 01/03/2019 Drug metabolism dnpz_m14 Donepezil Metabolite M14 C28H33NO9 C28H33NO9 0 01/03/2019 Drug metabolism dnpz_m9 Donepezil Metabolite M9 C22H25NO3 C22H26NO3 1 01/03/2019 Drug metabolism dnr [Dinitrogen reductase] C7H14N5O2R2 1 19/09/2018 Nucleotide sugar metabolism dntd Dinucleotide C10H16O13P2R2 -2 19/09/2018 Nucleotide interconversion do5fctdn 5-Deoxy-5-fluorocytidine C9H12N3O4F 0 19/09/2018 Xenobiotics metabolism do5furi 5-Deoxy-5-fluorouridine C9H11N2O5F 0 19/09/2018 Xenobiotics metabolism do5mctdlt Deoxy-5-methylcytidylate C10H15N3O7P -1 19/09/2018 Xenobiotics metabolism doamdpcmnt Deoxyamidinoproclavaminate C9H16N4O3 0 19/09/2018 Clavulanic acid biosynthesis doco13ac docosenoic acid (C22:1) C22H41O2 -1 C08316 5281116 28792 DPUOLQHDNGRHBS-KTKRTIGZSA-M HMDB02068 02/07/2014 Fatty acid oxidation doco13ecoa 13-docosenoylcoa C43H72N7O17P3S -4 C16531 24892791 OWGHRDKRIGXBJM-SPZFTOIUSA-J 02/07/2014 Fatty acid oxidation docohepcoa 2,4,7,10,13,16,19-docosaheptenoylcoa C43H60N7O17P3S -4 HTSMCTDWAPSBNO-FFIXSAFPSA-J 02/07/2014 Fatty acid oxidation docohexcoa 2,4,7,10,13,16-docosahexenoylcoa C43H62N7O17P3S -4 AZUZBFHCVONSTM-ZXCJSVMFSA-J 02/07/2014 Fatty acid oxidation docohxeth Docosahexaenoyl Ethanolamide C24H37NO2 0 5283451 GEEHOLRSGZPBSM-KUBAVDMBSA-N HMDB0013658 03/01/2017 Glycerophospholipid metabolism docopecoa 2,4,7,10,13-docosapentenoylcoa C43H68N7O17P3S C43H64N7O17P3S -4 02/07/2014 docosac Behenic acid C22H43O2 -1 C08281 8215 28941 UKMSUNONTOPOIO-UHFFFAOYSA-M HMDB00944 02/07/2014 Fatty acid oxidation docosahexcoa 3,7,10,13,16,19-docosahexenoylcoa C43H62N7O17P3S -4 SMXVAIMPVOMQLT-JFYHQLIUSA-J 02/07/2014 Fatty acid oxidation docoscoa docosanoylcoa C43H74N7O17P3S -4 53481548 NDDZLVOCGALPLR-JEAMVCTESA-J HMDB0012930 02/07/2014 Fatty acid oxidation docosdiac docosanedioicacid C22H40O4 -2 C19625 244872 DGXRZJSPDXZJFG-UHFFFAOYSA-L 02/07/2014 Fatty acid oxidation docteteth Docosatetraenoyl Ethanolamide (22:4, Delta 7, 10, 13, 16) C24H41NO2 0 FMVHVRYFQIXOAF-CGRWFSSPSA-N 03/01/2017 Glycerophospholipid metabolism dodecanac Dodecanedioic acid C12H20O4 -2 C02678 12736 4676 TVIDDXQYHWJXFK-UHFFFAOYSA-L HMDB00623 02/07/2014 Fatty acid oxidation doh_etr Etravarine Dihydroxylated (M4, M5, M6) C20H15BrN6O3 C20H15BrN6O3 0 71316232 01/03/2019 Drug metabolism doh_etr_glc Etravarine Dihydroxylated Glucuronide C26H23BrN6O9 C26H23BrN6O9 0 01/03/2019 Drug metabolism doh_vcz Dihydroxyvoriconazole C16H14F3N5O3 C16H14F3N5O3 0 01/03/2019 Drug metabolism doh_vcz_glc Dihydroxyvoriconazole Glucuronide C22H22F3N5O9 C22H22F3N5O9 0 01/03/2019 Drug metabolism doldp_L Dolichol diphosphate, human liver homolog C1080H1758O70P20 -30 C00621 5462166 15750 MXGLYEVGJRXBTP-QOLULZROSA-N HMDB01513 02/07/2014 Inositol phosphate metabolism doldp_U Dolichol diphosphate, human uterine homolog C1025H1670O70P20 -30 15750 MXGLYEVGJRXBTP-QOLULZROSA-K 02/07/2014 N-glycan synthesis dolglcp_L Dolichyl beta-D-glucosyl phosphate, human liver homolog C1140H1868O90P10 -10 C01246 22833557 15812 AGLXCEGQRIYVRV-DVDHLLHCSA-N HMDB01054 02/07/2014 N-glycan synthesis dolglcp_U Dolichyl beta-D-glucosyl phosphate, human uterine homolog C1085H1780O90P10 -10 15812 AGLXCEGQRIYVRV-DVDHLLHCSA-N 02/07/2014 N-glycan synthesis dolichol_L Dolichol, human liver homolog C1080H1768O10 0 C00381 6433320 16091 KLGBTYNAYAZPFD-QOLULZROSA-N HMDB05176 02/07/2014 N-glycan synthesis dolichol_U Dolichol, human uterine homolog C1025H1680O10 0 16091 GYBNOAFGEKAZTA-QOLULZROSA-N 02/07/2014 N-glycan synthesis dolmanp_L Dolichyl phosphate D-mannose, human liver homolog C1140H1868O90P10 -10 C03862 3246168 15809 HXXFSFRBOHSIMQ-PQMKYFCFSA-N HMDB00994 02/07/2014 Inositol phosphate metabolism dolmanp_U Dolichyl phosphate D-mannose, human uterine homolog C1085H1780O90P10 -10 15809 AGLXCEGQRIYVRV-JJMCDSPESA-N 02/07/2014 N-glycan synthesis dolmnt Deoxylimonate C26H31O8 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dolmntrl Deoxylimononic acid D-ring-lactone C26H32O9 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dolp_L dolichyl phosphate(2-) C1080H1758O40P10 -20 C00110 5280322 57683 GYBNOAFGEKAZTA-QOLULZROSA-N HMDB06353 02/07/2014 N-glycan degradation dolp_U dolichyl phosphate(2-) C1025H1670O40P10 -20 57683 GYBNOAFGEKAZTA-QOLULZROSA-L 02/07/2014 N-glycan synthesis dopa Dopamine C8H12NO2 1 C03758 681 18243 VYFYYTLLBUKUHU-UHFFFAOYSA-O HMDB00073 02/07/2014 Drug metabolism dopa3glcur Dopamine-3-O-Glucuronide C14H19NO8 0 VFNIABIHYUQGBJ-BYNIDDHOSA-N 03/01/2017 Tyrosine metabolism dopa4glcur Dopamine-4-O-Glucuronide C14H19NO8 0 3082490 CQASRCDNLNMIJY-BYNIDDHOSA-N HMDB0010329 03/01/2017 Tyrosine metabolism dopa4sf Dopamine 4-O-Sulphate C8H11NO5S 0 C13691 123932 DEKNNWJXAQTLFA-UHFFFAOYSA-N HMDB04148 03/01/2017 Tyrosine metabolism dopaqn L-dopaquinone C9H9NO4 0 C00822 439316 16852 AHMIDUVKSGCHAU-LURJTMIESA-N HMDB01229 02/07/2014 Tyrosine metabolism dopasf dopamine 3-O-sulfate C8H11NO5S 0 C13690 122136 37946 NZKRYJGNYPYXJZ-UHFFFAOYSA-N HMDB06275 02/07/2014 Tyrosine metabolism dortp Deoxyribose triphosphate C5H10O13P3 -3 19/09/2018 Nucleotide sugar metabolism doxopa 1,2-Dioxopropanoic acid X 0 02/07/2014 dpcnl Diphenylene carbinol C13H10O 0 19/09/2018 Xenobiotics metabolism dpcoa Dephospho-CoA C21H33N7O13P2S -2 C00882 439335 15468 KDTSHFARGAKYJN-IBOSZNHHSA-L HMDB01373 02/07/2014 CoA catabolism dpdn3gcg Delphinidin 3-glucoside 5-caffoyl-glucoside C36H34O20 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dpgpe 2,3-O-phytanyl-sn-glycero-1-phosphoethanolamine C45H94O6N1P1 C45H94NO6P 0 13/05/2020 Glycerophospholipid metabolism dpgpg 2,3-di-O-phytanyl-sn-glycerol-1-phospho-3'-sn-glycerol C46H94O8P1 C46H94O8P -1 13/05/2020 Glycerophospholipid metabolism dpgpi 2,3-O-phytanyl-sn-glycero-1-phospho-myo-inositol C49H98O11P1 C49H98O11P -1 13/05/2020 Glycerophospholipid metabolism dpgps 2,3-O-phytanyl-sn-glycero-1-phosphoserine C46H93N1O8P1 C46H93NO8P -1 13/05/2020 Glycerophospholipid metabolism dpmipkp Diphospho-myo-inositol pentakisphosphate C6H12O27P7 -7 19/09/2018 Inositol phosphate metabolism dpmth Diphenylenemethane C13H10 0 19/09/2018 Xenobiotics metabolism dpnddg Delphinidin 3,5-diglucoside C27H28O17 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism dpornsdtp 2-Deoxyribonucleoside triphosphate C5H9O12P3R -3 19/09/2018 Miscellaneous dptddna Depurinated DNA C15H24O17P3R2 -3 19/09/2018 Nucleotide sugar metabolism drib 2-deoxy-D-ribose C5H10O4 0 C01801 22833604 28816 PDWIQYODPROSQH-PYHARJCCSA-N HMDB03224 02/07/2014 Pentose phosphate pathway dsbaox periplasmic protein disulfide isomerase I (oxidized) X 0 02/07/2014 dsbard periplasmic protein disulfide isomerase I (reduced) XH2 0 02/07/2014 dsbcox protein disulfide isomerase II (oxidized) X 0 02/07/2014 dsbcrd protein disulfide isomerase II (reduced) XH2 0 02/07/2014 dsbdox fused thiol:disulfide interchange protein (oxidized) X 0 02/07/2014 dsbdrd fused thiol:disulfide interchange protein (reduced) XH2 0 02/07/2014 dsbgox periplasmic disulfide isomerase/thiol-disulphide oxidase (oxidized) X 0 02/07/2014 dsbgrd periplasmic disulfide isomerase/thiol-disulphide oxidase (reduced) XH2 0 02/07/2014 dscl dihydrosirohydrochlorin C42H41N4O16 -7 02/07/2014 Vitamin B12 metabolism dsmsterol desmosterol C27H44O 0 C01802 439577 17737 AVSXSVCZWQODGV-DPAQBDIFSA-N HMDB02719 02/07/2014 Cholesterol metabolism dspvs desacyl dehydro-pravastatin C18H23NaO5 C18H23NaO5 0 02/07/2014 Drug metabolism dsT_antigen disialyl-T antigen C36H56N3O26X -2 G00027 02/07/2014 O-glycan degradation dsT_antigen_rl released disialyl-T antigen C36H59N3O27 C36H57N3O27 -2 G00269 29/03/2017 O-glycan degradation dt5hsu 4-Deoxy-L-threo-5-hexosulose uronate C6H7O6 -1 02/07/2014 Plant polysaccharide degradation dtbt Dethiobiotin C10H17N2O3 -1 HMDB03581 02/07/2014 Biotin metabolism dtdp dTDP C10H13N2O11P2 -3 C00363 164628 18075 UJLXYODCHAELLY-XLPZGREQSA-K HMDB01274 02/07/2014 Biosynthesis of 12-, 14- and 16-membered macrolides dtdp34d26dg dTDP-3,4-dioxo-2,6-dideoxy-D-glucose C16H22N2O14P2 C16H20N2O14P2 -2 C06620 01/07/2019 Polyketide sugar unit biosynthesis dtdp3modglu dTDP-3-methyl-4-oxo-2,6-dideoxy-L-glucose C17H24N2O14P2 -2 19/09/2018 Nucleotide sugar metabolism dtdp4aaddg dTDP-4-acetamido-4,6-dideoxy-D-galactose C18H27N3O15P2 -2 02/07/2014 Cell wall biosynthesis dtdp4addg dTDP-4-amino-4,6-dideoxy-D-galactose C16H26N3O14P2 -1 02/07/2014 Cell wall biosynthesis dtdp4d6dg dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) C16H22N2O15P2 -2 C11907 443496 16128 PSXWNITXWWECNY-GEOJQADCSA-L HMDB01399 02/07/2014 Cell wall biosynthesis dtdp4d6dm dTDP-4-dehydro-6-deoxy-L-mannose(2-) C16H22N2O15P2 -2 C00688 439293 15744 PSXWNITXWWECNY-WPTIAVDBSA-L HMDB01399 02/07/2014 Cell wall biosynthesis dtdp6dm dTDP_6_deoxy_L_mannose C16H24N2O15P2 0 02/07/2014 dtdpadsa dTDP-alpha-D-desosamine C18H30N3O13P2 -1 19/09/2018 Nucleotide sugar metabolism dtdpatdaglu dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose C16H26N3O13P2 -1 19/09/2018 Nucleotide sugar metabolism dtdpatdglu dTDP-3-amino-3,4,6-trideoxy-D-glucose C16H26N3O13P2 -1 19/09/2018 Polyketide sugar unit biosynthesis dtdpddg dTDP_4_dehydro_6_deoxy_D_glucose C16H22N2O15P2 0 02/07/2014 dtdpddm dTDP_4_dehydro_6_deoxy_L_mannose C16H22N2O15P2 0 02/07/2014 dtdpdf dTDP-D-fucose C16H24N2O15P2 -2 19/09/2018 Cell wall biosynthesis dtdpdsamn dTDP-D-desosamine C18H30N3O13P2 -1 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides dtdpglc dTDPglucose C16H24N2O16P2 0 02/07/2014 dtdpglu dTDP-glucose(2-) C16H24N2O16P2 -2 C00842 439324 35248 YSYKRGRSMLTJNL-KFQCIAAJSA-L HMDB01328 02/07/2014 Nucleotide sugar metabolism dtdpodaglu dTDP-4-oxo-2,6-dideoxy-alpha-D-glucose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis dtdpoddg dTDP-4-oxo-2,6-dideoxy-D-glucose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis dtdpodglu dTDP-3-oxo-4,6-dideoxy-D-glucose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis dtdpodlglu dTDP-4-oxo-2,6-dideoxy-L-glucose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis dtdpodman dTDP-4-oxo-2,6-dideoxy-L-mannose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis dtdpodoa dTDP-4-oxo-6-deoxy-D-allose C16H22N2O15P2 -2 19/09/2018 Cell wall biosynthesis dtdprmn dTDP-L-rhamnose C16H24N2O15P2 -2 C03319 439975 35452 ZOSQFDVXNQFKBY-CZRCVJRHSA-L HMDB06354 02/07/2014 Cell wall biosynthesis dtmp dTMP C10H13N2O8P -2 C00364 9700 17013 GYOZYWVXFNDGLU-XLPZGREQSA-L HMDB01227 02/07/2014 Nucleotide interconversion dtnpodaglu dTDP-3-oxo-6-deoxy-alpha-D-glucose C16H22N2O15P2 -2 19/09/2018 Cell wall biosynthesis dtt 1,4-dithiothreitol C4H10O2S2 0 C00265 262 42106 VHJLVAABSRFDPM-IMJSIDKUSA-N HMDB03156 02/07/2014 Selenoamino acid metabolism dttOX trans-1,2-dithiane-4,5-diol C4H8O2S2 0 C01119 439407 42147 YPGMOWHXEQDBBV-IMJSIDKUSA-N HMDB0059664 02/07/2014 Selenoamino acid metabolism dttp dTTP C10H13N2O14P3 -4 C00459 64968 18077 NHVNXKFIZYSCEB-XLPZGREQSA-J HMDB01342 02/07/2014 NAD metabolism dudp dUDP C9H11N2O11P2 -3 C01346 145729 28850 QHWZTVCCBMIIKE-SHYZEUOFSA-K HMDB01000 02/07/2014 Nucleotide interconversion dump dUMP C9H11N2O8P -2 C00365 65063 17622 JSRLJPSBLDHEIO-SHYZEUOFSA-L HMDB01409 02/07/2014 Nucleotide interconversion duri Deoxyuridine C9H12N2O5 0 C00526 13712 16450 MXHRCPNRJAMMIM-SHYZEUOFSA-N HMDB00012 02/07/2014 Nucleotide interconversion dutp dUTP C9H11N2O14P3 -4 C00460 65070 17625 AHCYMLUZIRLXAA-SHYZEUOFSA-J HMDB01191 02/07/2014 Nucleotide interconversion dvchlphyllide Divinyl chlorophyllide a C35H31N4O5Mg 0 C11832 15/03/2016 Porphyrin and chlorophyll metabolism dvprotochloroph Divinylprotochlorophyllide C35H28N4O5Mg -2 C1183 08/03/2016 Porphyrin and chlorophyll metabolism dxo Dextrorphan C17H23NO C17H23NO 0 5360697 01/03/2019 Drug metabolism dxo_glc Dextrorphan O-Glucuronide C23H31NO7 C23H31NO7 0 24883428 01/03/2019 Drug metabolism dxtrn phosphorylase-limit dextrin (glycogenin-1,6{4[1,4-Glc], 4[1,4-Glc]}) C48H81O41X 0 02/07/2014 Miscellaneous dxyl 1-deoxy-D-xylulose C5H10O4 0 02/07/2014 Terpenoid backbone biosynthesis dxyl5p 1-deoxy-D-xylulose 5-phosphate C5H9O7P -2 02/07/2014 Terpenoid backbone biosynthesis e- electron X -1 02/07/2014 e3haspt erythro-3-Hydroxy-L-aspartate C4H7NO5 C4H6NO5 -1 19/09/2018 Alanine and aspartate metabolism e3mmal D-erythro-3-Methylmalate C5H8O5 C5H6O5 -2 02/07/2014 Valine, leucine, and isoleucine metabolism e3mmcoa L-erythro-3-Methylmalyl-CoA C26H38N7O20P3S -4 19/09/2018 Glyoxylate and dicarboxylate metabolism e4hglu erythro-4-hydroxy-L-glutamate(1-) C5H8NO5 -1 C05947 440854 16338 HBDWQSHEVMSFGY-SCQFTWEKSA-M HMDB02273 02/07/2014 Alanine and aspartate metabolism e4p D-Erythrose 4-phosphate C4H7O7P -2 C00279 122357 48153 NGHMDNPXVRFFGS-IUYQGCFVSA-L HMDB01321 02/07/2014 Fructose and mannose metabolism eaflatoxin aflatoxin B1 exo-8,9-epoxide C17H12O7 0 C19586 104756 30725 KHBXRZGALJGBPA-IRWJRLHMSA-N HMDB06558 02/07/2014 Cytochrome metabolism eamn Ethylamine C2H8N 1 19/09/2018 Atrazine degradation eandrstrn 16alpha-hydroxydehydroepiandrosterone C19H28O3 0 C05139 102030 27771 QQIVKFZWLZJXJT-DNKQKWOHSA-N HMDB00352 02/07/2014 Steroid metabolism ebastine ebastine C32H39NO2 0 3191 211060 MJJALKDDGIKVBE-UHFFFAOYSA-N HMDB0060159 02/07/2014 Cytochrome metabolism ebastineoh hydroxylated ebastine C32H39NO3 0 UDZUMQUGNZBRMN-UHFFFAOYSA-N 02/07/2014 Cytochrome metabolism ebnzn Ethylbenzene C8H10 0 19/09/2018 Xenobiotics metabolism eca2und (enterobacterial common antigen)x2 undecaprenyl-diphosphate C103H162N6O37P2 -4 02/07/2014 eca3und (enterobacterial common antigen)x3 undecaprenyl-diphosphate C127H198N9O52P2 -5 02/07/2014 eca4colipa (enterobacterial common antigen)x4 core oligosaccharide lipid A C272H447N14O160P4 -15 02/07/2014 eca4und (enterobacterial common antigen)x4 undecaprenyl-diphosphate C151H234N12O67P2 -6 02/07/2014 ecgon ecgonine C9H14NO3 -1 C10858 443003 4743 PHMBVCPLDPDESM-FKSUSPILSA-M HMDB06548 02/07/2014 Alkaloid synthesis ecnmlcoa (E)-Cinnamoyl-CoA C30H39N7O17P3S -3 19/09/2018 Phenylalanine metabolism edrn Ephedrine C10H16NO 1 04/10/2018 Flavonoid, isoflavonoid, and polyphenol metabolism edtlcn Eriodictyol chalcone C15H12O6 0 19/09/2018 Xenobiotics metabolism efv Efavirenz C14H9ClF3NO2 C14H9ClF3NO2 0 C08088 01/03/2019 Drug metabolism efv_glc Efavirenz Glucuronide C20H17ClF3NO8 C20H17ClF3NO8 0 01/03/2019 Drug metabolism egACPm Enoylglutaryl-ACP methyl ester C17H27N2O10PRS -1 02/07/2014 Biotin metabolism egme ecgoninium methyl ester(1+) C10H17NO3 0 C12448 443844 31529 QIQNNBXHAYSQRY-UYXSQOIJSA-N HMDB06406 02/07/2014 Alkaloid synthesis ei11ecoa 11-eicosenoylcoa C41H68N7O17P3S -4 C16530 24892790 ZDRKXADSROCWCG-FVLDFCIYSA-J 02/07/2014 Fatty acid oxidation eic21114tr Trans,Cis,Cis-2,11,14-Eicosatrienoic Acid C20H33O2 -1 XDSHIVGEAKXSMO-GRBWUMRTSA-M 03/01/2017 Fatty acid oxidation eicit_D D-erythro-Isocitric acid C6H5O7 C6H8O7 -3 C04617 01/07/2019 Citric acid cycle eicostet eicosatetranoic acid C20H31O2 -1 11722594 71488 HQPCSDADVLFHHO-LTKCOYKYSA-M HMDB02177 02/07/2014 Fatty acid synthesis eicostetcoa eicosatetranoyl coenzyme A C41H62N7O17P3S -4 C16164 23724641 PLHICYKOPITJJT-QWOXCLFSSA-J HMDB0060184 02/07/2014 Fatty acid oxidation eicostetcrn Eicosatetranoyl carnitine C27H45NO4 0 VPEBWBVNBKLXSR-VDNIJTNNSA-N 02/07/2014 Fatty acid oxidation eidi1114ac Cis,Cis-11,14-Eicosadienoic Acid C20H35O2 -1 C16525 6439848 XSXIVVZCUAHUJO-AVQMFFATSA-M HMDB05060 03/01/2017 Fatty acid oxidation eig3p D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate C6H9N2O6P -2 HMDB0012208 02/07/2014 Histidine metabolism eipencoa 2,5,8,11,14-eicosapentaenoylcoa C41H60N7O17P3S -4 TUHCSUUQBQJDTC-IBYUJNRCSA-J 02/07/2014 Fatty acid oxidation eitetcoa 5,8,11,14-eicosatetraenoylcoa C41H62N7O17P3S -4 JDEPVTUUCBFJIW-YQVDHACTSA-J 02/07/2014 Fatty acid oxidation elaid elaidate C18H33O2 -1 C00712 445639 16196 ZQPPMHVWECSIRJ-KTKRTIGZSA-M HMDB00573 02/07/2014 Fatty acid synthesis elaidcrn Elaidic carnitine C25H47NO4 0 53477837 IPOLTUVFXFHAHI-OUKQBFOZSA-N HMDB06464 02/07/2014 Fatty acid oxidation eltr Eltrombopag C25H22N4O4 C25H20N4O4 -2 01/03/2019 Drug metabolism eltr_glc Eltrombopag Glucuronide (M2) C31H30N4O10 C31H28N4O10 -2 01/03/2019 Drug metabolism eltr_m3 Eltrombopag M3 (Glucuronide Conjugate) C21H21O10N C21H19O10N -2 01/03/2019 Drug metabolism eltr_m4 Eltrombopag M4 (Glucuronide Conjugate) C18H23N3O7 C18H22N3O7 -1 01/03/2019 Drug metabolism em2emgacpail_hs (phosphoethanolaminyl-dimannosyl),(phosphoethanolaminyl)-mannosyl-glucosaminyl-acylphosphatidylinositol (H7) C53H100N3O35P3FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism em2emgacpail_prot_hs (phosphoethanolaminyl-dimannosyl),(phosphoethanolaminyl)-mannosyl-glucosaminyl-acylphosphatidylinositol C53H100N3O35P3FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism em3gacpail_hs phosphoethanolaminyl-trimannosyl-glucosaminyl-acylphosphatidylinositol (H6) C51H94N2O32P2FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism emem2gacpail_hs (phosphoethanolaminyl-mannosyl),(phosphoethanolaminyl)-dimannosyl-glucosaminyl-acylphosphatidylinositol (H7) C53H100N3O35P3FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism emgacpail_hs phosphoethanolaminyl-mannosyl-glucosylaminyl-acylphosphatidylinositol (H5) C39H74N2O22P2FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism engthmn Epinorgalanthamine C16H19NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis enlipa phosphoethanolamine KDO(2)-lipid (A) C112H202N3O42P3 -6 02/07/2014 enoxoln Enoxolone C30H46O4 C30H45O4 -1 C02283 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism enter Enterochelin C30H27N3O15 0 02/07/2014 entermg Enterobactin monoglycosylated C36H37N3O20 0 02/07/2014 eoaa enol-Oxaloacetate C4H4O5 C4H2O5 -2 19/09/2018 Citric acid cycle eodctnt 9,10-Epoxyoctadecatrienoic acid C18H27O3 -1 19/09/2018 Xenobiotics metabolism epa Eicosapentaenoic acid C20H30O2 C20H29O2 -1 C06428 HMDB01999 02/07/2014 epACPm Enoylpimeloyl-ACP methyl ester C19H31N2O10PRS -1 02/07/2014 Biotin metabolism epcplctm epsilon-Caprolactam C6H11NO 0 19/09/2018 Xenobiotics metabolism epmb Epimelibiose C12H22O11 0 19/09/2018 Galactose metabolism epntnt (5Z,7E,9E,14Z,17Z)-Eicosapentaenoate C20H29O2 -1 19/09/2018 Fatty acid oxidation epoxtac 31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-tacrolimus C41H63NO14 C41H63NO14 0 02/07/2014 Drug metabolism erdictl Eriodictyol C15H12O6 C15H12O6 0 C05631 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism erg Ergosterol C28H44O 0 19/09/2018 Steroid metabolism ermcna Erythromycin A C37H68NO13 1 19/09/2018 Xenobiotics metabolism ermcnb Erythromycin B C37H68NO12 1 19/09/2018 Xenobiotics metabolism ermcnc Erythromycin C C36H66NO13 1 19/09/2018 Xenobiotics metabolism ermcnd Erythromycin D C36H66NO12 1 19/09/2018 Xenobiotics metabolism eryth L-erythrulose C4H8O4 0 C02045 5460032 27913 UQPHVQVXLPRNCX-VKHMYHEASA-N HMDB06293 02/07/2014 Vitamin C metabolism eryth1p_D D-Erythrulose 1-phosphate C4H9O7P C4H7O7P -2 C21285 26/08/2019 Fructose and mannose metabolism eryth1p_L L-Erythrulose 1-phosphate C4H9O7P C4H7O7P -2 C03394 26/08/2019 Fructose and mannose metabolism eryth4p_D D-Erythrulose 4-phosphate C4H9O7P C4H7O7P -2 C03604 26/08/2019 Fructose and mannose metabolism estradiol estradiol C18H24O2 0 C00951 5757 16469 VOXZDWNPVJITMN-ZBRFXRBCSA-N HMDB00151 02/07/2014 Androgen and estrogen synthesis and metabolism estradiolglc 17beta-estradiol 3-glucosiduronic acid C24H32O8 0 C05503 13783824 36489 MUOHJTRCBBDUOW-QXYWQCSFSA-N HMDB06224 02/07/2014 Drug metabolism estriol estriol C18H24O3 0 C05141 5756 27974 PROQIPRRNZUXQM-ZXXIGWHRSA-N HMDB00153 02/07/2014 Drug metabolism estriolglc 16-Glucuronide-estriol C24H32O9 0 C05504 122281 FQYGGFDZJFIDPU-JRSYHJKYSA-N HMDB06766 02/07/2014 Drug metabolism estrle Sterol ester C18H27O2R 0 19/09/2018 estrone estrone C18H22O2 0 C00468 5870 17263 DNXHEGUUPJUMQT-CBZIJGRNSA-N HMDB00145 02/07/2014 Androgen and estrogen synthesis and metabolism estroneglc estrone 3-glucosiduronic acid C24H30O8 0 C11133 115255 FJAZVHYPASAQKM-JBAURARKSA-N HMDB04483 02/07/2014 Drug metabolism estrones estrone 3-sulfate(1-) C18H21O5S -1 C02538 3001028 17474 JKKFKPJIXZFSSB-CBZIJGRNSA-M HMDB01425 02/07/2014 Steroid metabolism etetnb Ergosta-5,7,22,24,(28)-tetraen-3beta-ol C28H42O 0 19/09/2018 Steroid metabolism etfox Electron transfer flavoprotein oxidized R 0 02/07/2014 Fatty acid oxidation etfrd Electron transfer flavoprotein reduced RH2 0 02/07/2014 Fatty acid oxidation etha Ethanolamine C2H8NO 1 C00189 700 16000 HZAXFHJVJLSVMW-UHFFFAOYSA-O HMDB00149 02/07/2014 Cell wall biosynthesis ethamp O-phosphonatoethanaminium(1-) C2H7NO4P -1 C00346 1015 17553 SUHOOTKUPISOBE-UHFFFAOYSA-M HMDB00224 02/07/2014 Cell wall biosynthesis ethmalac Ethylmalonic Acid C5H6O4 -2 11756 UKFXDFUAPNAMPJ-UHFFFAOYSA-L HMDB00622 03/01/2017 Fatty acid oxidation ethmalcoa Ethylmalonyl Coenzyme A C26H37N7O19P3S -5 VUGZQVCBBBEZQE-UQCJFRAESA-I 03/01/2017 Fatty acid oxidation ethrtl Erythritol C4H10O4 0 19/09/2018 Fructose and mannose metabolism ethrtl1p_D D-Erythritol 1-phosphate C4H11O7P C4H9O7P -2 C21294 26/08/2019 Fructose and mannose metabolism ethrtl4p D-Erythritol 4-phosphate C4H10O7P -1 19/09/2018 Fructose and mannose metabolism ethso3 ethanesulfonate C2H5O3S -1 02/07/2014 Respiration ethyne Acetylene; Ethyne C2H2 C2H2 0 C01548 01/07/2019 Chloroalkane and chloroalkene degradation etoh Ethanol C2H6O 0 C00469 702 16236 LFQSCWFLJHTTHZ-UHFFFAOYSA-N HMDB00108 02/07/2014 Glycolysis/gluconeogenesis eumelanin Eumelanin X 0 C17937 03/01/2017 eztmb Ezetimibe C24H21F2NO3 C24H21F2NO3 0 150311 01/03/2019 Drug metabolism eztmb_glc Ezetimibe Glucuronide C30H29F2NO9 C30H28F2NO9 -1 9894653 01/03/2019 Drug metabolism f1a F1alpha C22H37N2O15X 0 02/07/2014 Keratan sulfate degradation f1a_rl released F1alpha antigen C22H38N2O16 C22H38N2O16 0 G00727 29/03/2017 O-glycan degradation f1p D-Fructose 1-phosphate C6H11O9P -2 C01094 10400369 37515 RHKKZBWRNHGJEZ-NSHGFSBMSA-L HMDB01076 02/07/2014 Fructose and mannose metabolism f26bp beta-D-fructofuranose 2,6-bisphosphate(4-) C6H10O12P2 -4 C00665 105021 28602 YXWOAJXNVLXPMU-ZXXMMSQZSA-J HMDB01047 02/07/2014 Fructose and mannose metabolism f3o6mbglsd Flavonol 3-O-(6-O-malonyl-beta-D-glucoside) C24H21O11 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism f3oglsd Flavonol 3-O-D-glucoside C21H20O8 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism f5hoxkyn Formyl-5-hydroxykynurenamine C10H13N2O3 1 C05647 440743 CKAXPTWYSHDIBN-UHFFFAOYSA-O HMDB0012948 02/07/2014 Tryptophan metabolism f6p D-Fructose 6-phosphate C6H11O9P -2 C00085 69507 15946 BGWGXPAPYGQALX-VRPWFDPXSA-L HMDB00124 02/07/2014 Aminosugar metabolism fa1 Fatty acid (Iso-C14:0) C14H27O2 -1 02/07/2014 Fatty acid synthesis fa11 Fatty acid (Iso-C17:0) C17H33O2 -1 02/07/2014 Fatty acid synthesis fa12 Fatty acid (Anteiso-C17:0) C17H33O2 -1 02/07/2014 Fatty acid synthesis fa3 Fatty acid (Iso-C15:0) C15H29O2 -1 02/07/2014 Fatty acid synthesis fa4 Fatty acid (Anteiso-C15:0) C15H29O2 -1 02/07/2014 Fatty acid synthesis fa6 Fatty acid (iso-C16:0) C16H31O2 -1 02/07/2014 Fatty acid synthesis fac Fluoroacetate C2H2O2F -1 19/09/2018 Xenobiotics metabolism facald Fluoroacetaldehyde C2H3OF 0 19/09/2018 Xenobiotics metabolism fad Flavin adenine dinucleotide oxidized C27H31N9O15P2 -2 C00016 643975 16238 VWWQXMAJTJZDQX-UYBVJOGSSA-L HMDB01248 02/07/2014 Alanine and aspartate metabolism fadh2 Flavin adenine dinucleotide reduced C27H33N9O15P2 -2 C01352 446013 17877 YPZRHBJKEMOYQH-UYBVJOGSSA-L HMDB01197 02/07/2014 Alanine and aspartate metabolism fald formaldehyde CH2O 0 C00067 712 16842 WSFSSNUMVMOOMR-UHFFFAOYSA-N HMDB01426 02/07/2014 Aminobenzoate degradation fbnzn Fluorobenzene C6H5F 0 19/09/2018 Xenobiotics metabolism fc1p L-Fuculose 1-phosphate C6H11O8P -2 02/07/2014 Fructose and mannose metabolism fcl_L L-fuculose C6H12O5 0 02/07/2014 Fructose and mannose metabolism Fcnt L-Fuconate C6H12O6 C6H12O6 0 C01720 29/03/2017 O-glycan degradation fcsn 5-Fluorocytosine C4H4FN3O C4H4FN3O 0 3366 01/03/2019 Drug metabolism fcstrl Fecosterol C28H46O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism fdox ferredoxin (oxidized) 2[4Fe-4S] Fe8S8X 3 02/07/2014 Citric acid cycle fdp D-Fructose 1,6-bisphosphate C6H10O12P2 -4 C00354 172313 37736 RNBGYGVWRKECFJ-VRPWFDPXSA-J HMDB01058 02/07/2014 Fructose and mannose metabolism fdred ferredoxin (reduced) 2[4Fe-4S] Fe8S8X 2 02/07/2014 Citric acid cycle fdxo_42 ferrodoxin__oxidized_form_42_ Fe12S12X 0 02/07/2014 fdxox Oxidized ferredoxin X 0 C00139 02/07/2014 Butanoate metabolism fdxr_42 ferrodoxin__reduced_form_42_ Fe12S12X 0 02/07/2014 fdxrd Reduced ferredoxin XH2 0 C00138 02/07/2014 Butanoate metabolism fe2 Fe2+ Fe 2 C14818 27284 29033 CWYNVVGOOAEACU-UHFFFAOYSA-N HMDB00692 02/07/2014 Heme degradation fe3 Fe3+ Fe 3 C14819 29936 29034 VTLYFUHAOXGGBS-UHFFFAOYSA-N HMDB0012943 02/07/2014 Heme synthesis fe3dcit Fe(III)dicitrate C12H10FeO14 -3 02/07/2014 fe3dhbzs ferric 2,3-dihydroxybenzoylserine C10H10NO6Fe 2 02/07/2014 fe3dhbzs3 2-3-dihydroxybenzoylserine trimer-Fe-III C30FeH29N3O16 0 02/07/2014 fe3hox Fe(III)hydroxamate C9H18O6N3Fe 0 02/07/2014 fe3hox_un Fe(III)hydoxamate, unloaded C9H18O6N3 -3 02/07/2014 fecrm Ferrichrome C27H42FeN9O12 0 27424 02/07/2014 fecrm_un Ferrichrome minus Fe(III) C27H42N9O12 -3 02/07/2014 fecrun Ferrichrome minus Fe(III) X 0 02/07/2014 feenter Fe-enterobactin C30H27FeN3O15 3 02/07/2014 feoxam ferroxamine C25H46FeN6O8 1 02/07/2014 feoxam_un ferroxamine minus Fe(3) C25H46N6O8 -2 02/07/2014 feoxaun ferroxamine minus Fe(3) X 0 02/07/2014 ferlcoa Feruloyl-CoA C31H41N7O19P3S -3 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism feroxB Ferrioxamine-B C25H45N6O8 0 02/07/2014 feroxBfe Ferrioxamine-B-fe C25H45FeN6O8 0 02/07/2014 feroxE Ferrioxamine-E C27H45N6O9 0 02/07/2014 feroxEfe Ferrioxamine-E-fe C27H45FeN6O9 0 02/07/2014 feroxG Ferrioxamine-G C27H46N6O10 0 02/07/2014 feroxGfe Ferrioxamine-G-fe C27H46FeN6O10 0 02/07/2014 ferrich Ferrichrome C24H38FeN9O11 0 02/07/2014 fgam N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide C8H13N2O9P -2 C04376 130805 58426 VDXLUNDMVKSKHO-LLRQIJQNSA-L HMDB01308 02/07/2014 Folate metabolism ficytC Ferricytochrome c C42H54FeN8O6S2 3 C00125 15991 LJXGOQXYUKNTOR-VQGVYVAWSA-L 02/07/2014 Methionine and cysteine metabolism ficytcc553 Ferricytochrome c-553 C42H54FeN8O6S2 3 02/07/2014 Respiration fldox flavodoxin (oxidized) - obsolete X 0 02/07/2014 Nucleotide interconversion fldrd flavodoxin (reduced) - obsolete XH2 0 02/07/2014 Nucleotide interconversion fmet N_Formyl_L_methionine C6H10NO3S 0 02/07/2014 fmettrna N-Formylmethionyl-tRNA C6H9NO2SR 0 02/07/2014 fmfur Formylmethanofuran C35H44N4O16 C35H39N4O16 -5 02/07/2014 Methane metabolism fmltn Floramultine C21H25NO5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism fmn FMN C17H19N4O9P -2 C00061 643976 17621 FVTCRASFADXXNN-SCRDCRAPSA-L HMDB01520 02/07/2014 NAD metabolism fmnh2 Reduced FMN C17H21N4O9P -2 HMDB01142 02/07/2014 NAD metabolism fmntn Formononetin C16H12O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism fn2m2masn N4-{N-Acetyl-beta-D-glucosaminyl-(1,2)-alpha-D-mannosyl-(1,3)-[N-acetyl-beta-D-glucosaminyl-(1,2)-alpha-D-mannosyl-(1,6)]-beta-D... C56H93N4O39X 0 G00016 ZIOILIBSCHTXHY-XXTOJQTLSA-N 02/07/2014 N-glycan synthesis fna5moxam Formyl-N-acetyl-5-methoxykynurenamine C13H16N2O4 0 C05642 171161 JYWNYMJKURVPFH-UHFFFAOYSA-N HMDB04259 02/07/2014 Tryptophan metabolism foam Formamide CH3NO 0 02/07/2014 focytC Ferrocytochrome C C42H54FeN8O6S2 2 C00126 16928 WFVBWSTZNVJEAY-VQGVYVAWSA-L 02/07/2014 Methionine and cysteine metabolism focytcc553 Ferrocytochrome c-553 C42H54FeN8O6S2 2 02/07/2014 Respiration fol Folate C19H18N7O6 -1 C00504 6037 27470 OVBPIULPVIDEAO-LBPRGKRZSA-M HMDB00121 02/07/2014 Folate metabolism for Formate CH1O2 -1 C00058 284 30751 BDAGIHXWWSANSR-UHFFFAOYSA-M HMDB00142 02/07/2014 Arginine and proline metabolism forcoa formyl-CoA C22H32N7O17P3S -4 02/07/2014 forglu N-Formimidoyl-L-glutamate C6H8N2O4 -2 C00439 439233 7274 NRXIKWMTVXPVEF-BYPYZUCNSA-L HMDB00854 02/07/2014 Folate metabolism formcoa formyl-CoA(4-) C22H32N7O17P3S -4 C00798 439313 15522 SXMOKYXNAPLNCW-GORZOVPNSA-J HMDB03419 02/07/2014 Fatty acid oxidation fpram 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine C8H15N3O8P -1 C04640 440417 58478 PMCOGCVKOAOZQM-LLRQIJQNSA-M HMDB00999 02/07/2014 Purine synthesis fprica 5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide C10H13N4O9P -2 C04734 166760 18381 ABCOOORLYAOBOZ-DEGSGYPDSA-L HMDB01439 02/07/2014 Purine synthesis frdp Farnesyl diphosphate C15H25O7P2 -3 C00448 445713 50277 VWFJDQUYCIWHTN-UHFFFAOYSA-K HMDB00961 02/07/2014 Cell wall biosynthesis frlt Ferulate C10H9O4 C10H9O4 -1 19/09/2018 Methionine and cysteine metabolism frmd Formamide CH3NO CH3NO 0 C00488 713 16397 ZHNUHDYFZUAESO-UHFFFAOYSA-N [H]C(N)=O HMDB01536 02/07/2014 Glyoxylate and dicarboxylate metabolism frmdylgly N-Formimidoylglycine C3H6N2O2 0 19/09/2018 Purine catabolism fru D-Fructose C6H12O6 0 C02336 439709 28645 RFSUNEUAIZKAJO-ARQDHWQXSA-N HMDB00660 02/07/2014 Drug metabolism frulys fructoselysine C12H25N2O7 1 02/07/2014 Starch and sucrose metabolism frulysp fructoselysine Phosphate C12H24N2O10P -1 02/07/2014 Starch and sucrose metabolism frulysph fructoselysine Phosphate C12H25N2O10P 0 12/11/2020 fruur D-Fructuronate C6H9O7 -1 02/07/2014 Pentose and glucuronate interconversions ftz Futalosinate C19H18N4O7 C19H17N4O7 -1 C16999 96023485 58863 O[C@@H]1[C@@H](CCC(=O)c2cccc(c2)C([O-])=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O 15/06/2016 Ubiquinone and other terpenoid-quinone biosynthesis fuc_L L-fucose C6H12O5 0 C01019 17106 2181 SHZGCJCMOBCMKK-DHVFOXMCSA-N HMDB00174 02/07/2014 Drug metabolism fuc12gal14acglcgalgluside_hs Type IIH glycolipid C50H89N2O26FULLRCO 0 02/07/2014 Blood group synthesis fuc132galacglcgal14acglcgalgluside_hs V3Fuc-nLc6Cer C64H112N3O36FULLRCO 0 G00089 02/07/2014 Blood group synthesis fuc13galacglcgal14acglcgalgluside_hs III3Fuc-nLc6Cer C64H112N3O36FULLRCO 0 G00076 02/07/2014 Blood group synthesis fuc14galacglcgalgluside_hs Lea glycolipid C50H89N2O26FULLRCO 0 02/07/2014 Blood group synthesis fuc15lctn L-Fucono-1,5-lactone C6H10O5 0 C18028 29/03/2017 Fructose and mannose metabolism fuc1p_L L-Fucose 1-phosphate C6H11O8P -2 C02985 439871 28319 PTVXQARCLQPGIR-DHVFOXMCSA-L HMDB01265 02/07/2014 Fructose and mannose metabolism fucacgalfucgalacglcgalgluside_hs (Gal)2 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1 C64H112N3O35FULLRCO 0 G00043 62656 02/07/2014 Blood group synthesis fucacngal14acglcgalgluside_hs IV3-a-NeuAc,III3-a-Fuc-nLc4Cer C61H105N3O34FULLRCO -1 G00063 62374 FYESHYJKKINHMB-LLXKOZIISA-M 02/07/2014 Blood group synthesis fucacngalacglcgalgluside_hs IV3-a-Neu5Ac,III4-a-Fuc-Lc4Cer C61H105N3O34FULLRCO -1 02/07/2014 Blood group synthesis fucfuc12gal14acglcgalgluside_hs Ley glycolipid C56H99N2O30FULLRCO 0 62562 02/07/2014 Blood group synthesis fucfuc132galacglcgal14acglcgalgluside_hs V3Fuc,III3Fuc-nLc6Cer C70H122N3O40FULLRCO 0 02/07/2014 Blood group synthesis fucfucfucgalacglc13galacglcgal14acglcgalgluside_hs (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)3 (Cer)1 C90H155N4O54FULLRCO 0 02/07/2014 Blood group synthesis fucfucfucgalacglcgal14acglcgalgluside_hs (Gal)3 (Glc)1 (GlcNAc)2 (LFuc)3 (Cer)1 C76H132N3O44FULLRCO 0 02/07/2014 Blood group synthesis fucfucgalacglc13galacglcgal14acglcgalgluside_hs (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 C84H145N4O50FULLRCO 0 02/07/2014 Blood group synthesis fucfucgalacglcgal14acglcgalgluside_hs (Gal)3 (Glc)1 (GlcNac)2 (LFuc)2 (Cer)1 X 0 02/07/2014 Blood group synthesis fucfucgalacglcgalacglcgal14acglcgalgluside_hs (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 C84H145N4O50FULLRCO 0 02/07/2014 Blood group synthesis fucfucgalacglcgalgluside_hs Leb glycolipid C56H99N2O30FULLRCO 0 02/07/2014 Blood group synthesis fucgal14acglcgalgluside_hs Lacto-N-fucopentaosyl III ceramide C50H89N2O26FULLRCO 0 02/07/2014 Blood group synthesis fucgalacgalfuc12gal14acglcgalgluside_hs Type IIIH glycolipid C70H122N3O40FULLRCO 0 G00058 27718 02/07/2014 Blood group synthesis fucgalacgalfucgalacglcgal14acglcgalgluside_hs (Gal)4 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)2 (Cer)1 X 0 02/07/2014 Blood group synthesis fucgalacglc13galacglcgal14acglcgalgluside_hs (Gal)4 (Glc)1 (GlcNac)3 (LFuc)1 (Cer)1 X 0 62671 02/07/2014 Blood group synthesis fucgalacglcgal14acglcgalgluside_hs VI2Fuc-nLc6 C64H112N3O36FULLRCO 0 G00071 61648 02/07/2014 Blood group synthesis fucgalacglcgalgluside_hs Type IH glycolipid C50H89N2O26FULLRCO 0 28743 02/07/2014 Blood group synthesis fucgalfucgalacglcgalgluside_hs (Gal)3 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1 C62H109N2O35FULLRCO 0 02/07/2014 Blood group synthesis fucgalgbside_hs fucosyl galactosylgloboside C56H99N2O31FULLRCO 0 02/07/2014 Sphingolipid metabolism fucneulacnhx monofucosyl-monosialyl-lacto-N-hexaose (HMO, PMID: 17002410) C57H95N3O43 C57H94N3O43 -1 02/07/2014 fum Fumarate C4H2O4 -2 C00122 444972 18012 VZCYOOQTPOCHFL-OWOJBTEDSA-L HMDB00134 02/07/2014 Alanine and aspartate metabolism fustin Fustin C15H12O6 C15H12O6 0 C01378 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism fvprn Flavaprenin C20H20O5 0 19/09/2018 Terpenoid backbone biosynthesis fvs fluvastatin C24H25FNNaO4 C24H25FNNaO4 0 DB01095 446155 FJLGEFLZQAZZCD-MCBHFWOFSA-N 02/07/2014 Drug metabolism fvscoa fluvastatin-CoA form C45H60FN8NaO19P3S C45H56FN8NaO19P3S -4 02/07/2014 Drug metabolism fvsgluc fluvstatin-glucuronide C30H33FNNaO10 C30H32FNNaO10 -1 02/07/2014 Drug metabolism fvstet des-isopropyl-dihydro-fluvastatin-tetranor C17H13FNNaO2 C17H13FNNaO2 0 02/07/2014 Drug metabolism fvstetcoa des-isopropyl-dihydro-fluvastatin-tetranor-CoA C35H42FN8NaO17P3S C35H38FN8NaO17P3S -4 02/07/2014 fvstetglu des-isopropyl-dihydro-fluvastatin-tetranor-glucuronide C23H21FNNaO8 C23H20FNNaO8 -1 02/07/2014 Drug metabolism g15lac Gluconolactone C6H10O6 C6H10O6 0 HMDB00150 02/07/2014 Fructose and mannose metabolism g1m6masnB1 glucosyl-(alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C64H107N2O50X 0 02/07/2014 N-glycan synthesis g1m7masnB glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) C70H117N2O55X 0 02/07/2014 N-glycan synthesis g1m7masnC glucosyl-(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein) C70H117N2O55X 0 02/07/2014 N-glycan synthesis g1m8masn (alpha-D-Glucosyl)-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C76H127N2O60X 0 C05875 02/07/2014 N-glycan synthesis g1m8mpdol_L alpha-D-Glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1840H3028N20O670P20 -20 G10598 02/07/2014 N-glycan synthesis g1m8mpdol_U alpha-D-Glucosyl-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1785H2940N20O670P20 -20 02/07/2014 N-glycan synthesis g1p D-Glucose 1-phosphate C6H11O9P -2 C00103 439165 16077 HXXFSFRBOHSIMQ-GASJEMHNSA-L HMDB01586 02/07/2014 Galactose metabolism g1p_B beta D-Glucose 1-phosphate C6H11O9P -2 C00663 02/07/2014 Glycolysis/gluconeogenesis g2m8masn (alpha-D-Glucosyl)2-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C82H137N2O65X 0 C05874 02/07/2014 N-glycan synthesis g2m8mpdol_L (alpha-D-Glucosyl)2-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1900H3128N20O720P20 -20 G10599 02/07/2014 N-glycan synthesis g2m8mpdol_U (alpha-D-Glucosyl)2-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1845H3040N20O720P20 -20 02/07/2014 N-glycan synthesis g3m8masn (alpha-D-Glucosyl)3-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C88H147N2O70X 0 C05873 02/07/2014 N-glycan synthesis g3m8mpdol_L (alpha-D-Glucosyl)3-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1960H3228N20O770P20 -20 G00008 02/07/2014 N-glycan synthesis g3m8mpdol_U (alpha-D-Glucosyl)3-(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1905H3140N20O770P20 -20 02/07/2014 N-glycan synthesis g3p Glyceraldehyde 3-phosphate C3H5O6P -2 C00118 729 17138 LXJXRIRHZLFYRP-UHFFFAOYSA-L HMDB01112 02/07/2014 Fatty acid synthesis g3pc sn-Glycero-3-phosphocholine C8H20NO6P 0 C00670 71920 16870 SUHOQUVVVLNYQR-MRVPVSSYSA-N HMDB00086 02/07/2014 Glycerophospholipid metabolism g3pe sn-Glycero-3-phosphoethanolamine C5H14NO6P 0 02/07/2014 Glycerophospholipid metabolism g3pg Glycerophosphoglycerol C6H14O8P -1 02/07/2014 Glycerophospholipid metabolism g3pi sn-Glycero-3-phospho-1-inositol C9H18O11P -1 02/07/2014 g3ps Glycerophosphoserine C6H13NO8P -1 02/07/2014 Glycerophospholipid metabolism g6p D-Glucose 6-phosphate C6H11O9P -2 C00092 5958 4170 NBSCHQHZLSJFNQ-GASJEMHNSA-L HMDB01401 02/07/2014 Glycerophospholipid metabolism g6p_B beta-D-glucose 6-phosphate C6H11O9P -2 C01172 439427 NBSCHQHZLSJFNQ-VFUOTHLCSA-N HMDB03498 02/07/2014 Glycolysis/gluconeogenesis ga1_hs gibberellin A1(1-) C44H79N2O22FULLRCO 0 C06136 22833624 AJJQXLLQPWSINS-ULFCUAASSA-N HMDB04900 02/07/2014 Glycosphingolipid metabolism ga2_hs GA2 C38H69N2O17FULLRCO 0 C06135 22833614 XXEIIEJSVKUHCZ-SJVSDXKXSA-N HMDB04888 02/07/2014 Cell wall biosynthesis gacpail_hs glucosaminyl-acylphosphatidylinositol C31H58NO14PFULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism gacphprnt 7-Glutarylaminocephalosporanate C15H16N2O8S -2 19/09/2018 Xenobiotics metabolism gACPm Glutaryl-ACP methyl ester C17H29N2O10PRS -1 02/07/2014 Biotin metabolism gagicolipa galactosyl-glucosyl-inner core oligosaccharide lipid A C157H271N2O84P4 -11 02/07/2014 Lipopolysaccharide biosynthesis gal D-Galactose C6H12O6 0 C00984 439357 28061 WQZGKKKJIJFFOK-PHYPRBDBSA-N HMDB00143 02/07/2014 Chondroitin sulfate degradation gal_bD beta D-Galactose C6H12O6 0 02/07/2014 Sphingolipid metabolism gal14acglcgalgluside_hs Lactoneotetraosylceramide C44H79N2O22FULLRCO 0 02/07/2014 Blood group synthesis gal1a3acgal Alpha-1,3-Galactose-N-acetylgalactosamine C14H25NO11 C14H25NO11 0 G00763 29/03/2017 O-glycan degradation gal1b3acgal Beta-1,3-Galactose-N-acetylgalactosamine C14H25NO11 C14H25NO11 0 G10607 29/03/2017 O-glycan degradation gal1p D-galactopyranose 1-phosphate C6H11O9P -2 C03384 439995 17973 HXXFSFRBOHSIMQ-FPRJBGLDSA-L HMDB0062705 02/07/2014 Galactose metabolism galacgalfuc12gal14acglcgalgluside_hs (Gal)3 (GalNac)1 (Glc)1 (GlcNac)1 (LFuc)1 (Cer)1 X 0 62575 02/07/2014 Blood group synthesis galacgalfucgalacglcgal14acglcgalgluside_hs (Gal)4 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)1 (Cer)1 X 0 02/07/2014 Blood group synthesis galacglc13galacglcgal14acglcgalgluside_hs nLc8Cer C72H125N4O42FULLRCO 0 G00069 02/07/2014 Blood group synthesis galacglcgal14acglcgalgluside_hs i-antigen C58H102N3O32FULLRCO 0 G00067 62266 02/07/2014 Blood group synthesis galacglcgalacglcgal14acglcgalgluside_hs I-antigen C72H125N4O42FULLRCO 0 62266 02/07/2014 Blood group synthesis galacglcgalgbside_hs Gal-GlcNAc-Gal globoside C64H112N3O37FULLRCO 0 02/07/2014 Sphingolipid metabolism galacglcgalgluside_hs Lc4Cer C44H79N2O22FULLRCO 0 C04910 02/07/2014 Blood group synthesis galactan Galactan (ECMDB21653) C24H40O20 C24H40O20 0 C05796 26/08/2019 Plant polysaccharide degradation galam D-Galactosamine C6H13NO5 0 C06377 MSWZFWKMSRAUBD-GASJEMHNSA-N 02/07/2014 Aminosugar metabolism galam6p D-galactosamine-6-phosphate C6H13NO8P -1 02/07/2014 Aminosugar metabolism galct_D D-Galactarate C6H8O8 -2 02/07/2014 Ascorbate and aldarate metabolism galctn_D D-Galactonate C6H11O7 -1 C00880 128869 RGHNJXZEOKUKBD-MGCNEYSASA-N HMDB00565 02/07/2014 Galactose metabolism galctn_L L-Galactonate C6H11O7 -1 02/07/2014 galctr_D D-Mucic acid C6H10O8 C6H8O8 -2 02/07/2014 Pentose and glucuronate interconversions galfuc12gal14acglcgalgluside_hs (Gal)3 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1 C56H99N2O31FULLRCO 0 02/07/2014 Blood group synthesis galfucgalacglcgal14acglcgalgluside_hs (Gal)4 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1 C70H122N3O41FULLRCO 0 02/07/2014 Blood group synthesis galfucgalacglcgalgluside_hs Type IB glycolipid C56H99N2O31FULLRCO 0 C06130 28287 02/07/2014 Blood group synthesis galgalfucfucgalacglcgalacglcgal14acglcgalgluside_hs (Gal)6 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 C96H165N4O60FULLRCO 0 62306 02/07/2014 Blood group synthesis galgalgalthcrm_hs Gal-Gal-Gal-Gal-Gal-Glc-Cer C54H96NO32FULLRCO 0 02/07/2014 Sphingolipid metabolism galgalthcrm_hs Gal-Gal-Gal-Gal-Glc-Cer C48H86NO27FULLRCO 0 02/07/2014 Sphingolipid metabolism galgbside_hs galactosylgloboside C50H89N2O27FULLRCO 0 G00097 62571 02/07/2014 Sphingolipid metabolism galgluside_hs galactosyl glucosyl ceramide C30H56NO12FULLRCO 0 POQRWMRXUOPCLD-HIIAJUEOSA-N 02/07/2014 Blood group synthesis galhexda D-galacto-Hexodialdose C6H10O6 0 19/09/2018 Galactose metabolism gallac D-Galactono-1,5-lactone C6H10O6 0 19/09/2018 Galactose metabolism galmannan Carob galactomannan C6000H10002O5001 C6000H10002O5001 0 G10130 27/03/2015 Plant polysaccharide degradation galside_hs D-galactosyl-N-acylsphingosine C24H46NO7FULLRCO 0 C02686 53480652 VJLLLMIZEJJZTE-DQVPDRNHSA-N HMDB0010708 02/07/2014 Glycosphingolipid metabolism galt galactitol C6H14O6 0 C01697 11850 16813 FBPFZTCFMRRESA-GUCUJZIJSA-N HMDB00107 02/07/2014 Galactose metabolism galt1p Galactitol 1-phosphate C6H13O9P -2 02/07/2014 Galactose metabolism galthcrm_hs Gal-Gal-Gal-Glc-Cer C42H76NO22FULLRCO 0 02/07/2014 Sphingolipid metabolism galur D-Galacturonate C6H9O7 -1 C08348 84740 HMDB02545 02/07/2014 Pentose and glucuronate interconversions gam D-Glucosamine C6H14NO5 1 C00329 439213 47977 MSWZFWKMSRAUBD-IVMDWMLBSA-O HMDB01514 02/07/2014 Aminosugar metabolism gam1p D-Glucosamine 1-phosphate C6H13NO8P -1 HMDB01109 02/07/2014 Cell wall biosynthesis gam26s Glucosamine 2,6-sulfate C6H11NO11S2 -2 02/07/2014 Drug metabolism gam6p D-Glucosamine 6-phosphate C6H13NO8P -1 C00352 439217 15873 XHMJOUIAFHJHBW-IVMDWMLBSA-M HMDB01254 02/07/2014 Aminosugar metabolism gams N-Sulfo-D-glucosamine C6H13NO8S C6H12NO8S -1 C01075 01/07/2019 Glycosaminoglycan degradation gar N1-(5-Phospho-D-ribosyl)glycinamide C7H14N2O8P -1 C03838 160913 58457 OBQMLSFOUZUIOB-ORJLUFJISA-M HMDB02022 02/07/2014 Folate metabolism garagund glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate C77H125N1O22P2 -2 02/07/2014 garbnzl Garbanzol C15H12O5 C15H12O5 0 C09751 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism gbbtn gamma-butyrobetaine C7H15NO2 0 02/07/2014 Fatty acid oxidation gbrln1 Gibberellin 1 C19H23O6 -1 04/10/2018 Diterpenoid biosynthesis gbrln20 Gibberellin 20 C19H23O5 -1 19/09/2018 Diterpenoid biosynthesis gbrln2bglsd Gibberellin 2-O-beta-D-glucoside C25H31O11 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism gbrln3 Gibberellin 3 C19H21O6 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism gbrlna4 Gibberellin A4 C19H23O5 -1 19/09/2018 Diterpenoid biosynthesis gbrlna9 Gibberellin A9 C19H23O4 -1 19/09/2018 Diterpenoid biosynthesis gbside Globoside C45H79N2O23R" 0 12/11/2020 Cell wall biosynthesis gbside_hs globoside C44H79N2O22FULLRCO 0 C03272 20057343 18259 MJVVJMMBLSKMDU-QVQHRZDJSA-N HMDB04958 02/07/2014 Sphingolipid metabolism gca3s Glycocholic acid 3-sulfate C26H42NO9S -1 03/01/2017 Bile acid synthesis gcald glycolaldehyde C2H4O2 0 C00266 756 17071 WGCNASOHLSPBMP-UHFFFAOYSA-N HMDB03344 02/07/2014 Cell wall biosynthesis gcdca3s Glycochenodeoxycholic acid 3-sulfate C26H42NO8S -1 03/01/2017 Bile acid synthesis gcgn Glycogenin C10H10N2O3R2 0 19/09/2018 Plant polysaccharide degradation gchola glycocholate C26H43NO6 0 C01921 23617285 17687 RFDAIACWWDREDC-FRVQLJSFSA-N HMDB00138 02/07/2014 Bile acid metabolism gcncn gamma-Coniceine C8H16N 1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism gcp Glycerol 1,2-cyclic phosphate C3H6O5P -1 19/09/2018 Glycerophospholipid metabolism gcrtn gamma-Carotene C40H56 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism gd1a_hs N-acetylneuraminosyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminosyl)-D-galactosyl-D-glucosylceramide dianion C66H111N4O38FULLRCO -2 C04927 58397 02/07/2014 O-glycan degradation gd1alpha_hs GD1a (homo sapiens) C66H111N4O38FULLRCO -2 02/07/2014 Sphingolipid metabolism gd1b_hs GD1b C66H111N4O38FULLRCO -2 C06141 02/07/2014 O-glycan degradation gd1b2_hs GD1beta C66H111N4O38FULLRCO -2 02/07/2014 Sphingolipid metabolism gd1c_hs GD1c C66H111N4O38FULLRCO -2 G00126 02/07/2014 Sphingolipid metabolism gd2_hs GD2 C60H101N4O33FULLRCO -2 C06134 28648 02/07/2014 O-glycan degradation gd3_hs GD3 C52H88N3O28FULLRCO -2 C06133 20057321 FLBTXIPIINJPIM-KNHVHYCVSA-N HMDB04911 02/07/2014 N-glycan degradation gda1_hs Gda1 Hs C67H111N4O39R X 0 25/04/2016 gdca3s Glycodeoxycholic acid 3-sulfate C26H42NO8S -1 03/01/2017 Bile acid synthesis gdchola glycochenodeoxycholate C26H43NO5 0 02/07/2014 gdman D-Glucosyl-D-mannose C12H22O11 0 19/09/2018 Starch and sucrose metabolism gdp GDP C10H12N5O11P2 -3 C00035 8977 17552 QGWNDRXFNXRZMB-UUOKFMHZSA-K HMDB01201 02/07/2014 Blood group synthesis gdpddman GDP-4-dehydro-6-deoxy-alpha-D-mannose(2-) C16H21N5O15P2 -2 C01222 439446 16955 PNHLMHWWFOPQLK-BKUUWRAGSA-L HMDB01346 02/07/2014 Aminosugar metabolism gdpdpa GDP-D-perosamine X -1 02/07/2014 gdpfuc GDP-L-fucose(2-) C16H23N5O15P2 -2 C00325 439211 17009 LQEBEXMHBLQMDB-QIXZNPMTSA-L HMDB01095 02/07/2014 Aminosugar metabolism gdpglc GDP-glucose C16H23N5O16P2 -2 19/09/2018 Nucleotide sugar metabolism gdpgpi Glucosaminyl archaetidyl-myo-inositol C55H110N1O15P1 C55H110NO15P 0 13/05/2020 Glycerophospholipid metabolism gdpkldgals GDP-4-keto-6-L-deoxygalactose C16H21N5O15P2 -2 19/09/2018 Pentose and glucuronate interconversions gdplg GDP-L-gulose C16H23N5O16P2 -2 19/09/2018 Ascorbate and aldarate metabolism gdpmann GDP-alpha-D-mannose(2-) C16H23N5O16P2 -2 C00096 18396 15820 MVMSCBBUIHUTGJ-GDJBGNAASA-L HMDB01163 02/07/2014 Ascorbate and aldarate metabolism gdpmanur GDP-D-mannuronate C16H23N5O17P2 C16H20N5O17P2 -3 02/07/2014 Fructose and mannose metabolism gdpofuc GDP-4-oxo-L-fucose C16H21N5O15P2 -2 02/07/2014 gdpormn GDP-4-oxo-L-rhamnose C16H21N5O15P2 -2 C05386 12/11/2020 Cell wall biosynthesis gdprmn GDP-L-rhamnose C16H23N5O15P2 -2 12/11/2020 Cell wall biosynthesis gdptp Guanosine 3-diphosphate 5-triphosphate C10H11N5O20P5 -7 02/07/2014 Nucleotide interconversion gfgaragund galactofuranosyl-glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate C83H135N1O27P2 -2 02/07/2014 gg4abut gamma-glutamyl-gamma aminobutyric acid C9H15O5N2 -1 02/07/2014 Arginine and proline metabolism ggagicolipa glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A C163H281N2O89P4 -11 02/07/2014 Lipopolysaccharide biosynthesis ggalctnlctn gamma-D-Galactonolactone C6H10O6 0 19/09/2018 Galactose metabolism ggbutal gamma-glutamyl-gamma-butyraldehyde C9H16O4N2 0 02/07/2014 Arginine and proline metabolism ggcysngly (gamma-Glutamylcysteine)n-glycine C10H15N3O6S -2 19/09/2018 Glutathione metabolism ggdp 2-trans,6-trans,10-trans-geranylgeranyl diphosphate(3-) C20H33O7P2 -3 C00353 735 48861 OINNEUNVOZHBOX-QIRCYJPOSA-K HMDB04486 02/07/2014 Cholesterol metabolism gggagicolipa glucosyl-glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A C169H291N2O94P4 -11 02/07/2014 Lipopolysaccharide biosynthesis gggp (S)-3-O-geranylgeranylglyceryl phosphate C23H39O6P1 C23H39O6P -2 13/05/2020 Glycerophospholipid metabolism gglamna L-gamma-Glutamyl-L-amino acid C7H9N2O5R -2 19/09/2018 Glutathione metabolism ggn primed glycogenin (glycogenin-8[1,4-Glc]) C48H81O41X 0 C01702 FWIVUUAQJLPCSQ-SLPGGIOYSA-N 02/07/2014 Starch and sucrose metabolism ggptrc gamma-glutamyl-putrescine C9H20O3N3 1 02/07/2014 Arginine and proline metabolism ggsemscys gamma-Glutamyl-Se-methylselenocysteine C9H15N2O5Se -1 19/09/2018 Glutathione metabolism gicolipa glucosyl-inner core oligosaccharide lipid A C151H261N2O79P4 -11 02/07/2014 Lipopolysaccharide biosynthesis glac D-glucurono-6,3-lactone C6H8O6 0 C02670 2724333 18268 UYUXSRADSPPKRZ-SKNVOMKLSA-N HMDB06355 02/07/2014 Pentose and glucuronate interconversions glap Gla protein C7H6N2O6R2 -2 19/09/2018 Ubiquinone and other terpenoid-quinone biosynthesis glappc Gla protein precursor C6H7N2O4R2 -1 19/09/2018 Ubiquinone and other terpenoid-quinone biosynthesis Glc_aD alpha D-glucose C6H12O6 0 02/07/2014 glc_bD beta D-glucose C6H12O6 0 02/07/2014 Galactose metabolism glc_D D-glucose C6H12O6 0 C00031 5793 4167 WQZGKKKJIJFFOK-GASJEMHNSA-N HMDB00122 02/07/2014 Cyanoamino acid metabolism glc1man glucose-1,3-mannose oligosaccharide C12H22O11 0 C04147 440240 27554 QIGJYVCQYDKYDW-WPMDEUETSA-N HMDB0060068 02/07/2014 N-glycan synthesis glc2man (2)[glucose-1,3]-mannose oligosaccharide C18H32O16 0 02/07/2014 N-glycan synthesis glc3man glucose-1,2-(2)[glucose-1,3]-mannose oligosaccharide C24H42O21 0 02/07/2014 N-glycan synthesis glc3meacp glucuronide-conjugate of 3-methoxy-acetaminophen C14H17NO9 C14H16NO9 -1 02/07/2014 Drug metabolism glcglycp 2-(beta-D-Glucosyl)-sn-glycerol 3-phosphate C9H17O11P -2 C10517 01/07/2019 Glucosylglycerol biosynthesis glclgly Glycylglycine C4H8N2O3 0 19/09/2018 Xenobiotics metabolism glcmannan Konjac glucomannan C2574H4292O2146 C2574H4292O2146 0 G11598 4934 27/03/2015 Plant polysaccharide degradation glcn D-gluconate C6H11O7 -1 C00257 10690 33198 RGHNJXZEOKUKBD-SQOUGZDYSA-M HMDB00625 02/07/2014 Pentose and glucuronate interconversions glcn_D D_Gluconate X 0 02/07/2014 glcr D-glucarate(2-) C6H8O8 -2 C00818 33037 16002 DSLZVSRJTYRBFB-LLEIAEIESA-L HMDB00663 02/07/2014 Ascorbate and aldarate metabolism glctl Glycitol C2H5O2R 0 19/09/2018 Fructose and mannose metabolism glctn14ltn L-Galactono-1,4-lactone C6H10O6 C6H10O6 0 19/09/2018 Galactose metabolism glctnb Galacto-N-biose C14H25NO11 C14H25NO11 0 29/03/2017 glctnbp Galacto-N-biose phosphate C14H26NO14P C14H24NO14P -2 29/03/2017 glctnl Galactinol C12H22O11 0 19/09/2018 Inositol phosphate metabolism glcur D-glucuronate C6H9O7 -1 C00191 444791 47952 AEMOLEFTQBMNLQ-AQKNRBDQSA-M HMDB00127 02/07/2014 Chondroitin sulfate degradation glcur1p D-Glucuronate 1-phosphate C6H8O10P -3 C05385 440650 35145 AIQDYKMWENWVQJ-AQKNRBDQSA-K HMDB03976 02/07/2014 Pentose phosphate pathway glgchlo beta glucan-glycocholate complex C1200026H2200043NO1100006 0 02/07/2014 Dietary fiber binding gln_D D-glutamine C5H10N2O3 0 19/09/2018 Glutamate metabolism gln_L L-glutamine C5H10N2O3 0 C00064 5961 18050 ZDXPYRJPNDTMRX-VKHMYHEASA-N HMDB00641 02/07/2014 Alanine and aspartate metabolism glnasngln Glutaminyl-Asparaginyl-Glutamine C14H24N6O7 0 TWHDOEYLXXQYOZ-BIIVOSGPSA-N 03/01/2017 Peptide metabolism glnhishis Glutaminyl-Histidyl-Histidine C17H24N8O5 0 GFLNKSQHOBOMNM-XQQFMLRXSA-N 03/01/2017 Peptide metabolism glnhislys Glutaminyl-Histidyl-Lysine C17H30N7O5 -1 NNXIQPMZGZUFJJ-AVGNSLFASA-M 03/01/2017 Peptide metabolism glnlyslys Glutaminyl-Lysyl-Lysine C17H36N6O5 -2 JRHPEMVLTRADLJ-AVGNSLFASA-M 03/01/2017 Peptide metabolism glnlystrp Glutaminyl-Lysyl-Tryptophan C22H33N6O5 1 AMHIFFIUJOJEKJ-SZMVWBNQSA-M 03/01/2017 Peptide metabolism glnproglu Glutaminyl-Prolyl-Glutamate C15H23N4O7 -1 HMIXCETWRYDVMO-GUBZILKMSA-M 03/01/2017 Peptide metabolism glntrna L-Glutaminyl-tRNA(Gln) C5H9N2O2R 1 02/07/2014 glntrpglu Glutaminyl-Tryptophanyl-Glutamate C21H26N5O7 -1 DITJVHONFRJKJW-CWRNSKLLSA-M 03/01/2017 Peptide metabolism glntyrleu Glutaminyl-Tyrosyl-Leucine C20H30N4O6 0 JKDBRTNMYXYLHO-XHSDSOJGSA-N 03/01/2017 Peptide metabolism glt Gallate C7H5O5 -1 19/09/2018 Aminobenzoate degradation gltcho beta glucan-taurocholic acid complex C1200026H2200045NO1100007S 0 02/07/2014 Dietary fiber binding gltdechol beta glucan-taurodeoxycholic acid complex C1200026H2200044NO1100006S -1 02/07/2014 Dietary fiber binding gltml1p L-Glutamyl 1-phosphate C5H10NO7P C5H9NO7P -1 19/09/2018 Glutamate metabolism gltmn Galantamine C17H21NO3 C17H22NO3 1 C08526 9651 01/03/2019 Drug metabolism gltmn_glc Galantamine Glucuronide C23H29NO9 C23H29NO9 0 01/03/2019 Drug metabolism glu_D D-Glutamate C5H8NO4 -1 HMDB03339 02/07/2014 Cell wall biosynthesis glu_L L-glutamate C5H8NO4 -1 C00025 33032 16015 WHUUTDBJXJRKMK-VKHMYHEASA-M HMDB00148 02/07/2014 Alanine and aspartate metabolism glu1sa L-Glutamate 1-semialdehyde C5H9NO3 0 02/07/2014 Heme synthesis glu5p L-Glutamate 5-phosphate C5H8NO7P -2 C03287 193475 17798 PJRXVIJAERNUIP-VKHMYHEASA-L HMDB01228 02/07/2014 Arginine and proline metabolism glu5sa L-Glutamate 5-semialdehyde C5H9NO3 0 C01165 193305 17232 KABXUUFDPUOJMW-BYPYZUCNSA-N HMDB02104 02/07/2014 Arginine and proline metabolism gluala 5-L-Glutamyl-L-alanine C8H13N2O5 -1 C03740 440103 50619 WQXXXVRAFAKQJM-WHFBIAKZSA-M HMDB06248 02/07/2014 Glutathione metabolism gluargleu Glutaminyl-Arginyl-Leucine C17H32N6O6 0 KKCUFHUTMKQQCF-TUAOUCFPSA-N 03/01/2017 Peptide metabolism gluasnleu Glutaminyl-Asparaginyl-Leucine C15H25N4O7 -1 ZOXBSICWUDAOHX-AEJSXWLSSA-M 03/01/2017 Peptide metabolism glucys gamma-L-Glutamyl-L-cysteine C8H13N2O5S -1 C00669 123938 17515 RITKHVBHSGLULN-WHFBIAKZSA-M HMDB01049 02/07/2014 Glutathione metabolism gluglu Glutamyl-Glutamate C10H14N2O7 -2 KOSRFJWDECSPRO-NTSWFWBYSA-L 03/01/2017 Peptide metabolism gluilelys Glutamyl-Isoleucyl-Lysine C17H32N4O6 0 XTZDZAXYPDISRR-PNBMMQAZSA-N 03/01/2017 Peptide metabolism gluleu Glutamyl-Leucine C11H19N2O5 -1 YBAFDPFAUTYYRW-JGVFFNPUSA-M 03/01/2017 Peptide metabolism glumet Glutamyl-Methionine C10H17N2O5S -1 JUXSWMRDPHRYQI-AADKRJSRSA-M 03/01/2017 Peptide metabolism glumethis Glutamyl-Methioninyl-Histidine C16H24N5O6S -1 BHXSLRDWXIFKTP-PRWSFJOGSA-M 03/01/2017 Peptide metabolism gluside_hs D-glucosyl-N-acylsphingosine C24H46NO7FULLRCO 0 C01190 22833534 18368 HHJTWTPUPVQKNA-KEVGHMQTSA-N HMDB00596 02/07/2014 Glycosphingolipid metabolism glutaccoa Glutaconoyl-CoA C26H40N7O19P3S C26H36N7O19P3S -4 C02411 24/02/2015 Butanoate metabolism glutacoa Glutaconyl Coenzyme A C26H35N7O19P3S -5 URTLOTISFJPPOU-UHFFFAOYSA-I 03/01/2017 Lysine metabolism glutar Glutarate C5H8O4 C5H6O4 -2 C00489 743 17859 JFCQEDHGNNZCLN-UHFFFAOYSA-L OC(=O)CCCC(O)=O HMDB00661 02/07/2014 Butanoate metabolism glutcnt Glutaconic acid C5H4O4 -2 19/09/2018 Butanoate metabolism glutcoa glutaryl-CoA(5-) C26H37N7O19P3S -5 C00527 439252 15524 SYKWLIJQEHRDNH-CKRMAKSASA-I HMDB01339 02/07/2014 Butanoate metabolism glutcon Glutaconate C5H4O4 -2 XVOUMQNXTGKGMA-OWOJBTEDSA-L 03/01/2017 Lysine metabolism gluthr Glutamyl-Threonine C9H15N2O6 -1 JSIQVRIXMINMTA-KZLJYQGOSA-M 03/01/2017 Peptide metabolism gluthrlys Glutamyl-Threonyl-Lysine C15H28N4O7 0 DTLLNDVORUEOTM-QFOLPQNPSA-N 03/01/2017 Peptide metabolism glutrna L-Glutamyl-tRNA(Glu) C5H7NO3R 0 02/07/2014 tRNA Charging glutrnagln glutamine_tRNA_charged_with_glutamate C20H29NO19P2R3 0 02/07/2014 glutrpala Glutamyl-Tryptophanyl-Alanine C19H23N4O6 -1 ZQNCUVODKOBSSO-XEGUGMAKSA-N 03/01/2017 Peptide metabolism glx glyoxylate C2H1O3 -1 C00048 760 16891 HHLFWLYXYJOTON-UHFFFAOYSA-M HMDB00119 02/07/2014 Alanine and aspartate metabolism gly Glycine C2H5NO2 0 C00037 750 15428 DHMQDGOQFOQNFH-UHFFFAOYSA-N HMDB00123 02/07/2014 Alanine and aspartate metabolism glyald D-Glyceraldehyde C3H6O3 0 C02154 751 17378 MNQZXJOMYWMBOU-VKHMYHEASA-N HMDB01051 02/07/2014 Fructose and mannose metabolism glyasn Glycyl-L-asparagine C6H11N3O4 0 HMDB0028836 02/07/2014 Peptide metabolism glyasp Glycyl-L-aspartate C6H9N2O5 -1 HMDB0028837 02/07/2014 Peptide metabolism glyb glycine betaine C5H11NO2 0 C00719 247 17750 KWIUHFFTVRNATP-UHFFFAOYSA-N HMDB00043 02/07/2014 Glycine, serine and threonine metabolism glyc Glycerol C3H8O3 0 C00116 753 17754 PEDCQBHIVMGVHV-UHFFFAOYSA-N HMDB00131 02/07/2014 Arachidonic acid metabolism glyc_R D-glycerate C3H5O4 -1 C00258 439194 32398 RBNPOMFGQQGHHO-REOHCLBHSA-M HMDB00139 02/07/2014 Fructose and mannose metabolism glyc_S (S)-Glycerate C3H5O4 0 6326776 33871 RBNPOMFGQQGHHO-REOHCLBHSA-N HMDB06372 02/07/2014 Glyoxylate and dicarboxylate metabolism glyc2p Glycerol 2-phosphate C3H7O6P -2 DHCLVCXQIBBOPH-UHFFFAOYSA-L 02/07/2014 Glycerophospholipid metabolism glyc3p Glycerol 3-phosphate C3H7O6P -2 C00093 439162 15978 AWUCVROLDVIAJX-GSVOUGTGSA-L HMDB00126 02/07/2014 Cell wall biosynthesis glyc45tca glycerol teichoic acid (n=45), linked, unsubstituted X X 0 30/09/2014 Cell wall biosynthesis glyc45tcaala_D glycerol teichoic acid (n=45), linked, D-ala substituted X X 0 30/09/2014 Cell wall biosynthesis glyc45tcaglc glycerol teichoic acid (n=45), linked, glucose substituted X X 0 30/09/2014 Cell wall biosynthesis glyceryl_prolpp Glyceryl Braun prolipoprotein C366H631N112O121S3 0 02/07/2014 glyclt glycolate C2H3O3 -1 C00160 757 17497 AEMRFAOFKBGASW-UHFFFAOYSA-M HMDB00115 02/07/2014 Glyoxylate and dicarboxylate metabolism glycogen glycogen C6H10O5 0 HMDB00757 02/07/2014 Starch and sucrose metabolism glycogen1500 glycogen (n=1500 repeat units) (glc alpha 1,4/6 glc) C9000H15002O7501 0 02/07/2014 Starch and sucrose metabolism glycogenb glycogen(n-1) X X 0 30/09/2014 Starch and sucrose metabolism glycyrrzn Glycyrrhizin C42H62O16 C42H59O16 -3 C02284 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism glycys Gly-Cys C5H10N2O3S C5H10N2O3S 0 02/07/2014 Peptide metabolism glygln Glycyl-L-glutamine C7H13N3O4 0 HMDB0028839 02/07/2014 Peptide metabolism glyglu Glycyl-L-glutamate C7H11N2O5 -1 HMDB0028840 02/07/2014 Peptide metabolism glygly Glycyl-glycine C4H8N2O3 0 C02037 11163 17201 YMAWOPBAYDPSLA-UHFFFAOYSA-N HMDB0011733 02/07/2014 Peptide metabolism glygn1 glycogen, structure 1 (glycogenin-11[1,4-Glc]) C66H111O56X 0 02/07/2014 Starch and sucrose metabolism glygn2 glycogen, structure 2 (glycogenin-1,6-{7[1,4-Glc], 4[1,4-Glc]}) C66H111O56X 0 02/07/2014 Starch and sucrose metabolism glygn3 glycogen, structure 3 (glycogenin-7[1,4-Glc]) C42H71O36X 0 02/07/2014 Miscellaneous glygn4 glycogen, structure 4 (glycogenin-1,6-{2[1,4-Glc], [1,4-Glc]}) C18H31O16X 0 02/07/2014 Starch and sucrose metabolism glygn5 glycogen, structure 5 (glycogenin-2[1,4-Glc]) C12H21O11X 0 02/07/2014 Starch and sucrose metabolism glyhisasn Glycyl-Histidyl-Asparagine C12H18N6O5 0 AYBKPDHHVADEDA-JGVFFNPUSA-N 03/01/2017 Peptide metabolism glyhislys Glycyl-Histidyl-Lysine C14H25N6O4 1 MVORZMQFXBLMHM-WDEREUQCSA-O 03/01/2017 Peptide metabolism glyleu Glycylleucine C8H16N2O3 0 C02155 92843 185298 DKEXFJVMVGETOO-LURJTMIESA-N HMDB00759 02/07/2014 Peptide metabolism glylyscys Glycyl-Lysyl-Cysteine C11H23N4O4S 1 VLIJYPMATZSOLL-JGVFFNPUSA-O 03/01/2017 Peptide metabolism glylysphe Glycyl-Lysyl-Phenylalanine C17H27N4O4 1 MHZXESQPPXOING-UONOGXRCSA-O 03/01/2017 Peptide metabolism glymet Glycyl-L-methionine C7H14N2O3S 0 HMDB0028847 02/07/2014 Others glyphe Glycylphenylalanine C11H14N2O3 0 97415 JBCLFWXMTIKCCB-UHFFFAOYSA-N HMDB0028848 02/07/2014 Peptide metabolism glypro Glycylproline C7H12N2O3 0 79101 70744 KZNQNBZMBZJQJO-YFKPBYRVSA-N HMDB00721 02/07/2014 Peptide metabolism glysar Glycylsarcosine C5H10N2O3 0 93131 VYAMLSCELQQRAE-UHFFFAOYSA-N 02/07/2014 glytrna Glycyl-tRNA(Gly) C2H4NOR 1 02/07/2014 tRNA Charging glytyr Glycyl-L-tyrosine C11H14N2O4 0 HMDB0028853 02/07/2014 Peptide metabolism glytyrlys Glycyl-Tyrosyl-Lysine C17H27N4O5 1 PNUFMLXHOLFRLD-UONOGXRCSA-O 03/01/2017 Peptide metabolism glyvalhis Glycyl-Valyl-Histidine C13H21N5O4 0 FULZDMOZUZKGQU-GXSJLCMTSA-N 03/01/2017 Peptide metabolism glz Gliclazide C15H21N3O3S C15H20N3O3S -1 D01599 3475 BOVGTQGAOIONJV-UHFFFAOYSA-N HMDB0015252 02/07/2014 Drug metabolism gm1_hs ganglioside GM1 C55H95N3O30FULLRCO -1 C04911 HMDB00117 02/07/2014 N-glycan degradation gm1a_hs GM1alpha C55H95N3O30FULLRCO -1 02/07/2014 Sphingolipid metabolism gm1b_hs GM1b C55H95N3O30FULLRCO -1 G00125 62370 02/07/2014 Sphingolipid metabolism gm2_hs N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-beta-D-glucosyl-(1<->1)-ceramide ani... C49H85N3O25FULLRCO -1 C04884 20057332 58857 HMDB04936 02/07/2014 Sphingolipid metabolism gm2a_hs GM2alpha C49H85N3O25FULLRCO -1 02/07/2014 Sphingolipid metabolism gm3 GM3 C42H72N2O21R" -1 12/11/2020 Cell wall biosynthesis gm3_hs alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(1-) C41H72N2O20FULLRCO -1 C04730 20057283 60065 WWDJRYLWFWMNJE-MDRDOSMGSA-N HMDB04842 02/07/2014 N-glycan degradation gmfl Gemfibrozil C15H22O3 C15H21O3 -1 C07020 3463 01/03/2019 Drug metabolism gmfl_glc Gemfibrozil 1-O-Beta-Glucuronide C21H30O9 C21H29O9 -1 01/03/2019 Drug metabolism gmfl_mI Gemfibrozil M1 (4-Ring Hydroxylated Metabolite) C15H22O4 C15H21O4 -1 01/03/2019 Drug metabolism gmfl_mI_glc M1 Glucuronide C21H30O10 C21H29O10 -1 01/03/2019 Drug metabolism gmfl_mII Gemfibrozil M2 (Benzyl Alcohol Metabolite) C15H22O4 C15H21O4 -1 01/03/2019 Drug metabolism gmfl_mII_glc M2 Glucuronide C21H30O10 C21H29O10 -1 01/03/2019 Drug metabolism gmfl_mIII Gemfibrozil M3 (Benzoic Acid Metabolite) C15H20O5 C15H19O5 -1 88118 01/03/2019 Drug metabolism gmfl_mIII_glc M3 Glucuronide C21H28O11 C21H27O11 -1 01/03/2019 Drug metabolism gmh7p D_Glycero_D_manno_heptose_7_phosphate C7H13O10P 0 02/07/2014 gmhep17bp D-Glycero-D-manno-heptose 1,7-bisphosphate C7H12O13P2 -4 02/07/2014 Lipopolysaccharide biosynthesis gmhep1p D-Glycero-D-manno-heptose 1-phosphate C7H13O10P -2 02/07/2014 Lipopolysaccharide biosynthesis gmhep7p D-Glycero-D-manno-heptose 7-phosphate C7H13O10P -2 02/07/2014 Lipopolysaccharide biosynthesis gmnc Gentamicin C C19H37N5O7R2 0 19/09/2018 Xenobiotics metabolism gmp GMP C10H12N5O8P -2 C00144 6804 17345 RQFCJASXJCIDSX-UUOKFMHZSA-L HMDB01397 02/07/2014 Bile acid synthesis gncore1 GlcNAc-alpha-1,4-Core 1 C22H37N2O15X 0 02/07/2014 O-glycan degradation gncore1_rl released GlcNAc-alpha-1,4-Core 1 C22H38N2O16 C22H38N2O16 0 G09115 29/03/2017 O-glycan degradation gncore2 GlcNAc-alpha-1,4-Core 2 C30H50N3O20X 0 02/07/2014 O-glycan degradation gncore2_rl released GlcNAc-alpha-1,4-Core 2 C30H51N3O21 C30H51N3O21 0 G03301 29/03/2017 O-glycan degradation gnemp Guanidinoethyl methyl phosphate C4H12N3O4P 0 19/09/2018 Xenobiotics metabolism gp1c_hs GP1c C99H159N7O62FULLRCO -5 02/07/2014 Sphingolipid metabolism gp1calpha_hs GP1c alpha C99H159N7O62FULLRCO -5 02/07/2014 Sphingolipid metabolism gp4g P1,P4-Bis(5-guanosyl) tetraphosphate C20H24N10O21P4 -4 02/07/2014 Nucleotide interconversion gpail_hs 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol C15H28NO13PFULLRCO2FULLR2CO2 0 C04248 17049 02/07/2014 Phosphatidylinositol phosphate metabolism gphpd Glycerophosphodiester C3H7O6PR -1 19/09/2018 Glycerophospholipid metabolism gpi_hs {[PE-Man-],[PE-]Man},{PE-}Man-GlcN-acylPI C55H106N4O38P4FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism gpi_prot_hs {[(Prot-PE-Man),(PE)-Man],[PE]}-Man-GlcN-acylPI C55H106N4O38P4FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism gpi_sig glycophosphatidylinositol (GPI) signal sequence (C-terminal peptide) Y 0 02/07/2014 Phosphatidylinositol phosphate metabolism gpn (Glycerophosphate)n C6H14O11P2 -2 19/09/2018 Cell wall biosynthesis gppppg Bis(5-guanosyl) tetraphosphate/GppppG C20H28N10O21P4 C20H24N10O21P4 -4 19/09/2018 Nucleotide interconversion gq1 GQ1 C89H143N6O55R -4 C06139 25/09/2018 N-glycan degradation gq1b_hs GQ1b C88H143N6O54FULLRCO -4 C06139 02/07/2014 Sphingolipid metabolism gq1balpha_hs GQ1balpha C88H143N6O54FULLRCO -4 G00129 02/07/2014 Sphingolipid metabolism gq1c_hs GQ1c C88H143N6O54FULLRCO -4 G00121 02/07/2014 Sphingolipid metabolism grdp Geranyl diphosphate C10H17O7P2 -3 C00341 445995 17211 GVVPGTZRZFNKDS-JXMROGBWSA-K HMDB01285 02/07/2014 Cholesterol metabolism grnl Geraniol C10H18O 0 12/11/2020 Terpenoid backbone biosynthesis grnlcoa cis-Geranyl-CoA C31H47N7O17P3S -3 19/09/2018 Geraniol degradation grnt Geranic acid C10H15O2 -1 19/09/2018 Geraniol degradation grxox glutaredoxin (oxidized) X 0 02/07/2014 Glutathione metabolism grxrd glutaredoxin (reduced) XH2 0 02/07/2014 Glutathione metabolism gsn Guanosine C10H13N5O5 0 C00387 6802 16750 NYHBQMYGNKIUIF-UUOKFMHZSA-N HMDB00133 02/07/2014 Nucleotide interconversion gstn Genistein C15H10O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism gt1a_hs GT1a C77H127N5O46FULLRCO -3 C06138 27691 02/07/2014 O-glycan degradation gt1alpha_hs GT1aalpha C77H127N5O46FULLRCO -3 G00128 02/07/2014 Sphingolipid metabolism gt1b_hs GT1b C77H127N5O46FULLRCO -3 C06140 28058 02/07/2014 N-glycan degradation gt1c_hs GT1c C77H127N5O46FULLRCO -3 G00120 02/07/2014 Sphingolipid metabolism gt2_hs GT2 C71H117N5O41FULLRCO -3 G00119 02/07/2014 Sphingolipid metabolism gt3_hs GT3 C63H104N4O36FULLRCO -3 C06299 02/07/2014 Sphingolipid metabolism gtacmp glucuronide-thiomethyl-acetaminophen conjugate C15H19NO8S C15H18NO8S -1 02/07/2014 Drug metabolism gthmn Galanthamine C17H21NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis gthncoa CoA-glutathione C31H47N10O22P3S2 -4 19/09/2018 Glutathione metabolism gthox Oxidized glutathione C20H30N6O12S2 -2 C00127 975 17858 YPZRWBKMTBYPTK-BJDJZHNGSA-L HMDB03337 02/07/2014 Arachidonic acid metabolism gthrd Reduced glutathione C10H16N3O6S -1 C00051 124886 16856 RWSXRVCMGQZWBV-WDSKDSINSA-M HMDB00125 02/07/2014 Alanine and aspartate metabolism gtnlhdhnp (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene C20H24N3O7S -1 19/09/2018 Glutathione metabolism gtp GTP C10H12N5O14P3 -4 C00044 6830 15996 XKMLYUALXHKNFT-UUOKFMHZSA-J HMDB01273 02/07/2014 C5-branched dibasic acid metabolism gtspmd Glutathionylspermidine C17H36N6O5S 2 02/07/2014 Arginine and proline metabolism gua Guanine C5H5N5O 0 C00242 764 16235 UYTPUPDQBNUYGX-UHFFFAOYSA-N HMDB00132 02/07/2014 Nucleotide interconversion gudac guanidinoacetic acid C3H7N3O2 0 C00581 763 16344 BPMFZUMJYQTVII-UHFFFAOYSA-N HMDB00128 02/07/2014 Purine catabolism gudca3s Glycoursodeoxycholic acid 3-sulfate C26H42NO8S -1 03/01/2017 Bile acid synthesis gullac L-gulono-1,4-lactone C6H10O6 0 C01040 439373 17587 SXZYCXMUPBBULW-SKNVOMKLSA-N HMDB03466 02/07/2014 Ascorbate and aldarate metabolism guln L-gulonate C6H11O7 -1 C00800 152304 16154 RGHNJXZEOKUKBD-QTBDOELSSA-M HMDB03290 02/07/2014 Ascorbate and aldarate metabolism guln_L L-gulonate C6H11O7 0 02/07/2014 gulur L-Guluronic acid C6H10O7 C6H9O7 -1 C06477 26/08/2019 Plant polysaccharide degradation gum gums C2760000H5060000O2530000 0 02/07/2014 Dietary fiber binding gumdchac guar gum-deoxyxholic acid complex C2760024H5060039O2530004 -1 02/07/2014 Dietary fiber binding gumgchol guar gum-glycocholate complex C2760026H5060043NO2530006 0 02/07/2014 Dietary fiber binding gumtchol guar gum-taurocholic acid complex C2760026H5060045NO2530007S 0 02/07/2014 Dietary fiber binding h proton H 1 C00080 1038 15378 GPRLSGONYQIRFK-UHFFFAOYSA-N HMDB0059597 02/07/2014 2-Oxocarboxylic acid metabolism h2 Hydrogen H2 0 C00282 783 18276 UFHFLCQGNIYNRP-UHFFFAOYSA-N HMDB01362 02/07/2014 Benzoate degradation h2co3 Carbonic acid CH2O3 0 C01353 767 BVKZGUZCCUSVTD-UHFFFAOYSA-N HMDB03538 02/07/2014 h2mb4p 1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate C5H9O8P2 -3 02/07/2014 Others h2o Water H2O 0 C00001 962 15377 XLYOFNOQVPJJNP-UHFFFAOYSA-N HMDB02111 02/07/2014 Alanine and aspartate metabolism h2o2 Hydrogen peroxide H2O2 0 C00027 784 16240 MHAJPDPJQMAIIY-UHFFFAOYSA-N HMDB03125 02/07/2014 Alanine and aspartate metabolism h2s Hydrogen sulfide H2S 0 HMDB03276 02/07/2014 Biotin metabolism h3mbaldh 2-Hydroxy-3-methylbenzaldehyde C8H8O2 C8H8O2 0 C14087 01/07/2019 Naphthalene degradation h4acabiph N-Hydroxy-4-acetylaminobiphenyl C14H13NO2 C14H13NO2 0 C04081 01/07/2019 Xenobiotics metabolism h4mpt 5,6,7,8-tetrahydromethanopterin C30H45N6O16P C30H42N6O16P -3 C01217 5462234 17321 SCBIBGUJSMHIAI-LHIIQLEZSA-N [H][C@]1(Nc2c(N[C@H]1C)nc(N)[nH]c2=O)[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[... HMDB0060403 02/07/2014 Methane metabolism h6lactn hexano-6-lactone C6H10O2 0 19/09/2018 Caprolactam degradation ha hyaluronan C28H40N2O22 -2 C00518 53477741 16336 YWIVKILSMZOHHF-QJZPQSOGSA-N HMDB02061 02/07/2014 Hyaluronan metabolism ha_deg1 hyaluronan degradation product 1 C22H33N2O16 -1 02/07/2014 Hyaluronan metabolism ha_pre1 hyaluronan biosynthesis, precursor 1 C14H20NO11 -1 C04794 440484 16126 DLGJWSVWTWEWBJ-UCFDOFRFSA-M HMDB0060071 02/07/2014 Hyaluronan metabolism hacolipa hepta-acylated core oligosaccharide lipid A (E. coli) C192H333N2O101P4 -11 02/07/2014 Lipopolysaccharide biosynthesis hacon_C cis-Homoaconitate (iAF692) C7H5O6 -3 08/03/2016 Lysine metabolism halipa hepta-acylated KDO(2)-lipid (A) C126H226N2O40P2 -6 02/07/2014 Lipopolysaccharide biosynthesis hamna Homoamino acid C3H6NO2R 0 19/09/2018 Miscellaneous haram N_Hydroxyarylamine C6H7NO 0 02/07/2014 hatrzn Hydroxyatrazine C8H15N5O 0 19/09/2018 Atrazine degradation hbdc 2-Hydroxy-1,3-benzenedicarboxylic acid C8H4O5 -2 19/09/2018 Xenobiotics metabolism HC00001 Albumin X 0 02/07/2014 HC00002 Antichymotrypsin X 0 02/07/2014 HC00003 Antitrypsin X 0 02/07/2014 HC00004 ApoA1 X 0 02/07/2014 Glycerophospholipid metabolism HC00005 ApoB100 X 0 02/07/2014 Glycerophospholipid metabolism HC00006 ApoC1 X 0 02/07/2014 Glycerophospholipid metabolism HC00007 ApoC2 X 0 02/07/2014 Glycerophospholipid metabolism HC00008 ApoC3 X 0 02/07/2014 Glycerophospholipid metabolism HC00009 ApoE X 0 02/07/2014 Glycerophospholipid metabolism HC00079 L-ornithinium(1+) C5H13N2O2 1 3A46911 02/07/2014 Urea cycle HC00229 Isomaltose C12H22O11 0 C00252 5460022 28189 HMDB02923 02/07/2014 HC00250 hydrosulfide HS -1 C00283 402 16136 RWSOTUBLDIXVET-UHFFFAOYSA-M HMDB03276 02/07/2014 Methionine and cysteine metabolism HC00319 Malonate C3H2O4 -2 C00383 867 30794 OFOBLEOULBTSOW-UHFFFAOYSA-L HMDB00691 02/07/2014 Beta-alanine metabolism HC00342 cis-aconitate(3-) C6H3O6 -3 C00417 643757 16383 GTZCVFVGUGFEME-IWQZZHSRSA-K HMDB00072 02/07/2014 Miscellaneous HC00361 sedoheptulose 1,7-bisphosphate(4-) C7H12O13P2 -4 C00447 164735 17969 OKHXOUGRECCASI-SHUUEZRQSA-J HMDB0060274 02/07/2014 Miscellaneous HC00460 2,5-dihydroxybenzoate C7H5O4 -1 C00628 3469 17189 WXTMDXOMEHJXQO-UHFFFAOYSA-M HMDB00152 02/07/2014 Tyrosine metabolism HC00576 Homocarnosine C10H15N4O3 -1 C00884 CCLQKVKJOGVQLU-QMMMGPOBSA-M HMDB00745 02/07/2014 Miscellaneous HC00591 2-oxoglutaramate C5H6NO4 -1 C00940 48 30882 COJBGNAUUSNXHX-UHFFFAOYSA-M HMDB01552 02/07/2014 Urea cycle HC00617 Ferricytochrome b5 X 0 C00996 18097 02/07/2014 Aminosugar metabolism HC00619 Ferrocytochrome b5 X 0 C00999 02/07/2014 Aminosugar metabolism HC00664 D-tagatofuranose 6-phosphate(2-) C6H11O9P -2 C01097 439396 4251 BGWGXPAPYGQALX-OEXCPVAWSA-L HMDB06873 02/07/2014 Miscellaneous HC00682 S-Acetyldihydrolipoamide C10H19NO2S2 0 C01136 1076 16807 ARGXEXVCHMNAQU-UHFFFAOYSA-N HMDB01526 02/07/2014 Miscellaneous HC00695 S-Succinyldihydrolipoamide C12H20NO4S2 -1 C01169 439425 17432 KWKBJWYJJBQOAE-UHFFFAOYSA-M HMDB01177 02/07/2014 Citric acid cycle HC00718 N-methylethanolaminium phosphate(1-) C3H9NO4P -1 C01210 439436 16463 HZDCAHRLLXEQFY-UHFFFAOYSA-M 02/07/2014 Glycerophospholipid metabolism HC00822 Chitobiose C16H28N2O11 0 C01674 22833609 28681 CDOJPCSDOXYJJF-AGBFQKNOSA-N HMDB03556 02/07/2014 Aminosugar metabolism HC00832 L-Fuculose C6H12O5 0 C01721 6857362 17617 QZNPNKJXABGCRC-LFRDXLMFSA-N HMDB0060267 02/07/2014 Miscellaneous HC00900 Methylmalonate C4H4O4 -2 C02170 487 30860 ZIYVHBGGAOATLY-UHFFFAOYSA-L HMDB00202 02/07/2014 Miscellaneous HC00955 L-3-Cyanoalanine C4H5N2O2 -1 C02512 439742 16934 BXRLWGXPSRYJDZ-VKHMYHEASA-M HMDB0060245 02/07/2014 Cyanoamino acid metabolism HC00958 Chenodiol X 0 03/01/2017 HC01007 L-Octanoylcarnitine C15H29NO4 0 C02838 439824 18102 HMDB00791 02/07/2014 HC01104 4-nitrophenyl phosphate(2-) C6H4NO6P -2 C03360 378 17440 XZKIHKMTEMTJQX-UHFFFAOYSA-L 02/07/2014 Aminobenzoate degradation HC01111 Galactose-1P C6H11O9P -2 C00446 439995 17973 HMDB00645 02/07/2014 HC01115 NeuNGc C11H18NO10 -1 C03410 123802 29025 FDJKUWYYUZCUJX-PGIATKPXSA-M HMDB00833 02/07/2014 Miscellaneous HC01118 presqualene diphosphate(3-) C30H49O7P2 -3 C03428 5280592 57310 ATZKAUGGNMSCCY-VYCBRMPGSA-K HMDB01278 02/07/2014 Cholesterol metabolism HC01161 Apo-ACP X 0 C03688 16139 02/07/2014 CoA synthesis HC01162 (2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphinato)oxy]-... C20H29N4O17P -2 C03691 53481387 18098 HOEWKBQADMRCLO-UIUGZIMDSA-L HMDB0012206 02/07/2014 Miscellaneous HC01180 D-tagatofuranose 1,6-bisphosphate(4-) C6H10O12P2 -4 C03785 440117 4250 RNBGYGVWRKECFJ-OEXCPVAWSA-J HMDB06872 02/07/2014 Miscellaneous HC01223 3-hydroxy-2-methylpropanoyl-CoA(4-) C25H38N7O18P3S -4 C04047 45259165 15481 WWEOGFZEFHPUAM-MIZDRFBCSA-J 02/07/2014 Miscellaneous HC01231 N-[(R)-pantothenoyl]-L-cysteinate C12H21N2O6S -1 C04079 440217 18416 QSYCTARXWYLMOF-CBAPKCEASA-M HMDB06834 02/07/2014 CoA catabolism HC01254 6-Lactoyl-5,6,7,8-tetrahydropterin C9H13N5O3 0 C04244 169508 17248 HKCYZTKHPLJZDR-UHFFFAOYSA-N HMDB02065 02/07/2014 Tetrahydrobiopterin metabolism HC01255 But-2-Enoyl-ACP C4H5OSR 0 C04246 02/07/2014 Fatty acid synthesis HC01321 (R)-3-Hydroxybutanoyl-ACP C4H7O2SR 0 C04618 02/07/2014 Fatty acid synthesis HC01322 (R)-3-Hydroxydecanoyl-ACP C10H19O2SR 0 C04619 02/07/2014 Fatty acid synthesis HC01323 (R)-3-Hydroxyoctanoyl-ACP C8H15O2SR 0 C04620 02/07/2014 Fatty acid synthesis HC01326 (R)-3-Hydroxypalmitoyl-ACP C16H31O2SR 0 C04633 02/07/2014 Fatty acid synthesis HC01335 10fthf5glu[c] C40H45N11O19 -6 C04688 02/07/2014 Fatty acid synthesis HC01361 Dihydroneopterin C9H13N5O4 0 C04874 659 17001 YQIFAMYNGGOTFB-XINAWCOVSA-N HMDB02275 02/07/2014 Miscellaneous HC01376 S-(2-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 0 C05118 440565 28692 UFNCWFSSEGPJNL-UHFFFAOYSA-N HMDB06869 02/07/2014 Miscellaneous HC01377 S-(3-Methylbutanoyl)-dihydrolipoamide C13H25NO2S2 0 C05119 440566 27462 KMUSXGCRMMQDBP-UHFFFAOYSA-N HMDB06867 02/07/2014 Miscellaneous HC01397 (S)-3-Hydroxyhexadecanoyl-CoA C37H62N7O18P3S -4 C05258 440600 27402 DEHLMTDDPWDRDR-BCIKBWLNSA-J HMDB03932 02/07/2014 Fatty acid oxidation HC01399 (S)-3-Hydroxytetradecanoyl-CoA C35H58N7O18P3S -4 C05260 11966177 27466 HMDB03934 02/07/2014 HC01401 (S)-3-Hydroxydodecanoyl-CoA C33H54N7O18P3S -4 C05262 11966173 27668 HMDB03936 02/07/2014 HC01403 (S)-Hydroxydecanoyl-CoA C31H50N7O18P3S -4 C05264 16061159 28325 HMDB03938 02/07/2014 HC01405 (S)-Hydroxyoctanoyl-CoA C29H46N7O18P3S -4 C05266 53477508 28632 ATVGTMKWKDUCMS-OTOYJEMWSA-J HMDB03940 02/07/2014 Fatty acid oxidation HC01406 3-Oxooctanoyl-CoA C29H44N7O18P3S -4 C05267 440608 28264 WPIVBCGRGVNDDT-CECATXLMSA-J HMDB03941 02/07/2014 Fatty acid oxidation HC01407 (S)-Hydroxyhexanoyl-CoA C27H42N7O18P3S -4 C05268 440609 28276 VAAHKRMGOFIORX-IKTBLOROSA-J HMDB03942 02/07/2014 Fatty acid oxidation HC01408 3-Oxohexanoyl-CoA C27H40N7O18P3S -4 C05269 440610 27648 NFOYYXQAVVYWKV-HDRQGHTBSA-J HMDB03943 02/07/2014 Fatty acid oxidation HC01409 Hexanoyl-CoA C27H42N7O17P3S -4 C05270 449118 27540 HMDB02845 02/07/2014 HC01410 (2E)-Hexenoyl-CoA C27H40N7O17P3S -4 C05271 11966204 28706 HMDB03944 02/07/2014 HC01412 trans-tetradec-2-enoyl-CoA(4-) C35H56N7O17P3S -4 C05273 61405 MBCVYCOKMMMWLX-YYMFEJJQSA-J 02/07/2014 Fatty acid oxidation HC01414 trans-dec-2-enoyl-CoA(4-) C31H48N7O17P3S -4 61406 02/07/2014 HC01415 (2E)-Octenoyl-CoA C29H44N7O17P3S -4 C05276 5280769 62242 CPSDNAXXKWVYIY-IKYZEIRISA-J HMDB03949 02/07/2014 Fatty acid oxidation HC01434 oxalatosuccinate(3-) C6H3O7 -3 C05379 972 7815 UFSCUAXLTRFIDC-UHFFFAOYSA-K HMDB03974 02/07/2014 Miscellaneous HC01435 3-Carboxy-1-hydroxypropyl-ThPP C16H21N4O10P2S -3 C05381 440649 1463 ZWUKRGPVMMTMAF-UHFFFAOYSA-K HMDB06744 02/07/2014 Citric acid cycle HC01440 3-Keto-beta-D-galactose C6H10O6 0 C05394 440653 27453 APIQNBNBIICCON-VPXOEYFHSA-N HMDB01385 02/07/2014 Galactose metabolism HC01441 Lactose-6P C12H21O14P -2 C05396 ITPHOIFCAFNCLL-QKKXKWKRSA-N 02/07/2014 Miscellaneous HC01444 Galactosylglycerol C9H18O8 0 C05401 656504 15754 NHJUPBDCSOGIKX-NVMJTSJSSA-N HMDB06790 02/07/2014 Glycerophospholipid metabolism HC01446 3-Ketolactose C12H20O11 0 C05403 440659 HKKHTABTHSUDBP-ILXILVFVSA-N HMDB01030 02/07/2014 Galactose metabolism HC01459 3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA C48H76N7O21P3S -4 C05450 440677 27458 PXHZOQNODUPJKC-YZBUYOTGSA-J HMDB06890 02/07/2014 Bile acid metabolism HC01496 2-Amino-3-oxoadipate C6H8NO5 -1 C05520 440714 28095 HXWZRYKURKEOSO-UHFFFAOYSA-M 02/07/2014 Miscellaneous HC01501 hydroxidodioxidosulfidosulfate(1-) HO3S2 -1 C00320 1084 5587 DHCDFWKWKRSZHF-UHFFFAOYSA-M HMDB00257 02/07/2014 Methionine and cysteine metabolism HC01522 Gentisate aldehyde C7H6O3 0 C05585 70949 28508 CLFRCXCBWIQVRN-UHFFFAOYSA-N HMDB04062 02/07/2014 Tyrosine metabolism HC01577 gamma-Glutamyl-beta-cyanoalanine C9H13N3O5 C9H12N3O5 -1 C05711 53297342 10565 QUAADUAOVLZBJM-WDSKDSINSA-M N[C@@H](CCC(=O)N[C@@H](CC#N)C(O)=O)C(O)=O HMDB0060478 02/07/2014 Glutathione metabolism HC01587 Acetoacetyl-ACP X 0 C05744 02/07/2014 Fatty acid synthesis HC01588 Butyryl-ACP X 0 C05745 02/07/2014 Fatty acid synthesis HC01589 3-Oxohexanoyl-ACP X 0 C05746 02/07/2014 Fatty acid synthesis HC01590 D-3-Hydroxyhexanoyl-ACP C6H11O2SR 0 C05747 02/07/2014 Fatty acid synthesis HC01591 (2E)-Hexenoyl-ACP C6H9OSR 0 C05748 02/07/2014 Fatty acid synthesis HC01592 Hexanoyl-ACP X 0 C05749 02/07/2014 Fatty acid synthesis HC01593 3-Oxooctanoyl-ACP X 0 C05750 02/07/2014 Fatty acid synthesis HC01594 (2E)-Octenoyl-ACP C8H13OSR 0 C05751 02/07/2014 Fatty acid synthesis HC01595 Octanoyl-ACP C8H15ORS 0 C05752 7725 02/07/2014 Fatty acid synthesis HC01596 3-Oxodecanoyl-ACP X 0 C05753 02/07/2014 Fatty acid synthesis HC01597 (2E)-Decenoyl-ACP C10H17OSR 0 C05754 02/07/2014 Fatty acid synthesis HC01598 Decanoyl-ACP C10H19ORS 0 C05755 4349 02/07/2014 Fatty acid synthesis HC01599 3-Oxododecanoyl-ACP X 0 C05756 02/07/2014 Fatty acid synthesis HC01600 D-3-Hydroxydodecanoyl-ACP C12H23O2SR 0 C05757 02/07/2014 Fatty acid synthesis HC01601 (2E)-Dodecenoyl-ACP C12H21OSR 0 C05758 02/07/2014 Fatty acid synthesis HC01602 3-Oxotetradecanoyl-ACP X 0 C05759 02/07/2014 Fatty acid synthesis HC01603 (2E)-Tetradecenoyl-ACP X 0 C05760 02/07/2014 Fatty acid synthesis HC01605 3-Oxohexadecanoyl-ACP X 0 C05762 02/07/2014 Fatty acid synthesis HC01606 (2E)-Hexadecenoyl-ACP C16H29OSR 0 C05763 02/07/2014 Fatty acid synthesis HC01609 UroporphyrinogenI C40H36N4O16 -8 C05766 440775 28766 QTTNOSKSLATGQB-UHFFFAOYSA-F HMDB02211 02/07/2014 Heme synthesis HC01610 CoproporphyrinogenI C36H40N4O8 -4 C05768 440776 28607 HMDB02158 02/07/2014 HC01651 Formamidopyrimidine nucleoside triphosphate C10H14N5O15P3 -4 C05922 440840 NDXMRXXKCCKQQV-UUOKFMHZSA-N HMDB06822 02/07/2014 Folate metabolism HC01652 2,5-Diaminopyrimidine nucleoside triphosphate C9H14N5O14P3 -4 C05923 440841 929 CRXOALRUOMUPMC-UMMCILCDSA-J HMDB06821 02/07/2014 Folate metabolism HC01668 Propinol adenylate C13H18N5O8P C13H17N5O8P -1 C05983 440863 ZGNGGJLVZZHLQM-ZRFIDHNTSA-N HMDB06806 26/01/2015 Miscellaneous HC01672 Acetyl adenylate C12H15N5O8P -1 C05993 440867 37666 UBPVOHPZRZIJHM-GTBBIVDNSA-M HMDB06880 02/07/2014 Miscellaneous HC01700 gamma-Glutamyl-3-aminopropiononitrile C8H13N3O3 C8H13N3O3 0 C06114 440920 28092 VQPVVWAFTIFKDD-LURJTMIESA-N N[C@@H](CCC(=O)NCCC#N)C(O)=O HMDB0060477 02/07/2014 Glutathione metabolism HC01710 2,5-Diamino-6-(5-triphosphoryl-3,4-trihydroxy-2-oxopentyl)- amino-4-oxopyrimidine C9H14N5O14P3 -4 C06148 440923 ZJYBJXKSWQPKFW-UHFFFAOYSA-N HMDB06823 02/07/2014 Folate metabolism HC01712 S-Glutaryldihydrolipoamide C13H22NO4S2 -1 C06157 11953879 28391 PWTIHZUSTBSVGF-UHFFFAOYSA-M HMDB06832 02/07/2014 Miscellaneous HC01787 Lepidimoide X 0 C08241 ZGUYXYAGTSSIIA-ZFXQZNNKSA-M 02/07/2014 HC01797 Activated Methyl Group CH3X 0 C10905 02/07/2014 Miscellaneous HC01842 Phosphodimethylethanolamine C4H10NO4P -2 C13482 151438 31997 BLHVJAAEHMLMOI-UHFFFAOYSA-L 02/07/2014 Sphingolipid metabolism HC01852 Fibrinogen X 0 C00393 02/07/2014 HC01939 Haptoglobin X 0 02/07/2014 HC01942 Plasminogen X 0 02/07/2014 HC01943 Prothrombin X 0 02/07/2014 HC01944 ApoTransferin X 0 C05780 02/07/2014 HC01971 LDL X 0 3A39026 02/07/2014 HC01988 Stearoyl-ACP X 0 C04088 02/07/2014 Fatty acid synthesis HC02008 Glucosylceramide-pool C25H46NO8R X 0 02/07/2014 HC02020 Cholesterol-ester-palm C43H76O2 0 C11251 246520 3663 BBJQPKLGPMQWBU-JADYGXMDSA-N HMDB00885 02/07/2014 Miscellaneous HC02021 Cholest-5-En-3Beta-Yl (9Z-Hexadecenoate) C43H74O2 -1 HODJWNWCVNUPAQ-QCNMZLESSA-N 02/07/2014 Miscellaneous HC02022 cholest-5-en-3beta-yl octadecanoate C45H80O2 0 118246 XHRPOTDGOASDJS-XNTGVSEISA-N HMDB0062461 02/07/2014 Miscellaneous HC02023 Cholesterol-ester-ol C45H78O2 0 C14641 5283632 46898 RJECHNNFRHZQKU-RMUVNZEASA-N HMDB00918 02/07/2014 Miscellaneous HC02024 Cholesterol-ester-lin C45H76O2 0 C15441 5287939 41509 NAACPBBQTFFYQB-LJAITQKLSA-N HMDB00610 02/07/2014 Miscellaneous HC02025 Cholest-5-En-3Beta-Yl (9Z,12Z,15Z-Octadecatrienoate) C45H74O2 0 FYMCIBHUFSIWCE-IPXAICNQSA-N 02/07/2014 Miscellaneous HC02026 Cholesterol-Ester-Gamma-Lin C45H74O2 0 02/07/2014 Miscellaneous HC02027 Cholest-5-En-3Beta-Yl (5Z,8Z,11Z,14Z-Eicosatetraenoate) C47H76O2 0 IMXSFYNMSOULQS-HGISDRLNSA-N 02/07/2014 Miscellaneous HC02029 1-Hexadecanoyl-Sn-Glycero-3-Phosphate C19H37O7P -2 YNDYKPRNFWPPFU-SFHVURJKSA-N 02/07/2014 Miscellaneous HC02030 1-(9Z-Hexadecenoyl)-Glycero-3-Phosphate C19H35O7P -2 GLGQZYWTNAOWHT-FPLPWBNLSA-N 02/07/2014 Miscellaneous HC02031 1-Octadecanoyl-Sn-Glycero-3-Phosphate C21H41O7P -2 LAYXSTYJRSVXIH-FQEVSTJZSA-N 02/07/2014 Miscellaneous HC02032 1-(9Z-Octadecenoyl)-Sn-Glycero-3-Phosphate C21H39O7P -2 WRGQSWVCFNIUNZ-KTKRTIGZSA-L 02/07/2014 Miscellaneous HC02033 1-(9Z,12Z-Octadecadienoyl)-Glycero-3-Phosphate C21H37O7P -2 ZQTAMPRZFOOEEP-GSNKCQISSA-N 02/07/2014 Miscellaneous HC02036 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-Sn-Glycero-3-Phosphate C23H37O7P -2 XBFQFMCUPHZKTI-HUDVFFLJSA-N 02/07/2014 Miscellaneous HC02038 1-Acylglycerol-3P-Ld-Pc-Pool C4H6O7PR -2 C00681 03/01/2017 HC02039 1-Acylglycerol-3P-Ld-Pe-Pool C4H6O7PR -2 C00681 03/01/2017 HC02040 1-Acylglycerol-3P-Ld-Ps-Pool C4H6O7PR -2 C00681 03/01/2017 HC02041 1-Acylglycerol-3P-Ld-Pi-Pool C4H6O7PR -2 C00681 03/01/2017 HC02042 1-Acylglycerol-3P-Ld-Sm-Pool C4H6O7PR -2 C00681 03/01/2017 HC02043 Acyl Coenzyme A-Ld-Tg2-Pool C22H31N7O17P3SR -4 03/01/2017 HC02044 Acyl Coenzyme A-Ld-Pc-Pool C22H31N7O17P3SR -4 03/01/2017 HC02045 Acyl Coenzyme A-Ld-Pe-Pool C22H31N7O17P3SR -4 03/01/2017 HC02046 Acyl Coenzyme A-Ld-Ps-Pool C22H31N7O17P3SR -4 03/01/2017 HC02047 Acyl Coenzyme A-Ld-Pi-Pool C22H31N7O17P3SR -4 03/01/2017 HC02048 Acyl Coenzyme A-Ld-Sm-Pool C22H31N7O17P3SR -4 03/01/2017 HC02050 Phosphatidate-Ld-Pc-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02051 Phosphatidate-Ld-Pe-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02052 Phosphatidate-Ld-Ps-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02053 Phosphatidate-Ld-Pi-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02054 Phosphatidate-Ld-Sm-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02056 1,2-Diacylglycerol-Ld-Pc-Pool C5H6O5R2 0 C00641 03/01/2017 HC02057 1,2-Diacylglycerol-Ld-Pe-Pool C5H6O5R2 0 C00641 03/01/2017 HC02058 1,2-Diacylglycerol-Ld-Ps-Pool C5H6O5R2 0 C00641 03/01/2017 HC02059 1,2-Diacylglycerol-Ld-Pi-Pool C5H6O5R2 0 C00641 03/01/2017 HC02060 1,2-Diacylglycerol-Ld-Sm-Pool C5H6O5R2 0 C00641 03/01/2017 HC02061 Acyl Coenzyme A-Ld-Tg3-Pool C22H31N7O17P3SR -4 03/01/2017 HC02063 Fatty-Acid-Ld-Tg3-Pool CHO2R 0 C00162 03/01/2017 HC02064 Fatty-Acid-Ld-Tg2-Pool CHO2R 0 C00162 03/01/2017 HC02065 Fatty-Acid-Ld-Tg1-Pool CHO2R 0 C00162 03/01/2017 HC02066 Fatty-Acid-Ld-Pc-Pool CHO2R 0 C00162 03/01/2017 HC02067 Fatty-Acid-Ld-Pe-Pool CHO2R 0 C00162 03/01/2017 HC02068 Fatty-Acid-Ld-Ps-Pool CHO2R 0 C00162 03/01/2017 HC02069 Fatty-Acid-Ld-Pi-Pool CHO2R 0 C00162 03/01/2017 HC02070 Fatty-Acid-Ld-Sm-Pool CHO2R 0 C00162 03/01/2017 HC02071 1-Acylglycerol-Ld-Tg1-Pool C4H7O4R 0 C01885 03/01/2017 HC02072 1-Acylglycerol-Ld-Pc-Pool C4H7O4R 0 C01885 03/01/2017 HC02073 1-Acylglycerol-Ld-Pe-Pool C4H7O4R 0 C01885 03/01/2017 HC02074 1-Acylglycerol-Ld-Ps-Pool C4H7O4R 0 C01885 03/01/2017 HC02075 1-Acylglycerol-Ld-Pi-Pool C4H7O4R 0 C01885 03/01/2017 HC02076 1-Acylglycerol-Ld-Sm-Pool C4H7O4R 0 C01885 03/01/2017 HC02079 Pe-Ps-Ld-Pool C7H12NO8PR2 0 03/01/2017 HC02080 Bile-Pc-Pool C10H19NO8PR2 0 03/01/2017 HC02082 Acyl Coenzyme A-Bile-Pc-Pool C22H31N7O17P3SR -4 03/01/2017 HC02084 1-Acylglycerol-3P-Bile-Pc-Pool C4H6O7PR -2 C00681 03/01/2017 HC02085 1,2-Diacylglycerol-Bile-Pc-Pool C5H6O5R2 0 C00641 03/01/2017 HC02086 PA(16:0/16:0) C5H5O8PR2 -2 C00416 446066 PORPENFLTBBHSG-MGBGTMOVSA-N HMDB00674 03/01/2017 HC02089 Acyl Coenzyme A-Cl-Pool C22H31N7O17P3SR -4 03/01/2017 HC02091 1-Acylglycerol-3P-Cl-Pool C4H6O7PR -2 C00681 03/01/2017 HC02093 Phosphatidate-Cl-Pool C5H5O8PR2 -2 C00416 03/01/2017 HC02094 Cytidine-5-Diphosphate-Diacylglycerol-Cl-Pool C14H17N3O15P2R2 -2 03/01/2017 HC02097 3-Oxostearoyl-ACP X 0 C16219 02/07/2014 Fatty acid synthesis HC02098 3-Hydroxystearoyl-ACP C18H35O2SR 0 C16220 02/07/2014 Fatty acid synthesis HC02099 (2E)-Octadecenoyl-ACP C18H33OSR 0 C16221 02/07/2014 Fatty acid synthesis HC02100 Dihomo-gamma-linolenate C20H33O2 -1 C03242 5280581 53486 HMDB02925 02/07/2014 HC02108 4alpha-Methylzymosterol-4-carboxylate X 0 02/07/2014 HC02109 3-Keto-4-methylzymosterol C28H44O 0 C15816 24906328 50593 HMDB06838 02/07/2014 HC02110 4alpha-Methylzymosterol C28H46O 0 C05103 22212495 1949 FOUJWBXBKVVHCJ-YIJYGBTNSA-N HMDB01217 02/07/2014 Miscellaneous HC02111 ATP-energy X 0 C00002 5957 ZKHQWZAMYRWXGA-KQYNXXCUSA-N HMDB00538 02/07/2014 Miscellaneous HC02112 NADH-redox-potential X 0 C00004 928 BOPGDPNILDQYTO-NNYOXOHSSA-N HMDB01487 02/07/2014 Miscellaneous HC02113 NADPH-redox-potential X 0 ACFIXJIJDZMPPO-NNYOXOHSSA-N 02/07/2014 Miscellaneous HC02114 FADH-redox-potential X 0 C01352 446013 YPZRHBJKEMOYQH-UYBVJOGSSA-N HMDB01197 02/07/2014 Miscellaneous HC02115 Proton-gradient X 0 GPRLSGONYQIRFK-FTGQXOHASA-N 02/07/2014 Miscellaneous HC02116 activated-sulphur X 0 02/07/2014 Miscellaneous HC02119 Adenosylmethioninamine-potential X 0 C01137 439415 ZUNBITIXDCPNSD-LSRJEVITSA-N HMDB00988 02/07/2014 Methionine and cysteine metabolism HC02121 S-(hydroxymethyl)glutathione(1-) C11H18N3O7S -1 C14180 447123 48926 PIUSLWSYOYFRFR-BQBZGAKWSA-M HMDB04662 02/07/2014 Methane metabolism HC02129 THF-hexaglutamate X 0 02/07/2014 HC02136 Glycogenin-G7G1 C48H81O41X 0 02/07/2014 Miscellaneous HC02147 L-Oleoylcarnitine X 0 02/07/2014 HC02149 O-Propanoylcarnitine C10H19NO4 0 C03017 107738 28867 HMDB00824 02/07/2014 HC02150 O-Butanoylcarnitine X 0 02/07/2014 HC02154 GM4-pool X 0 02/07/2014 HC02160 GM2-pool X 0 C04884 20057332 UBCMQDIOEUZUPT-XYXKSNPQSA-N HMDB04936 02/07/2014 Miscellaneous HC02161 GM1-pool X 0 C04911 HMDB00117 02/07/2014 Miscellaneous HC02172 Zinc Zn 2 C00038 32051 29105 HMDB01303 02/07/2014 HC02175 caprate C10H19O2 -1 C01571 2969 30813 HMDB00511 02/07/2014 Fatty acid oxidation HC02176 laurate C12H23O2 -1 C02679 3893 30805 HMDB00638 02/07/2014 HC02179 20-hydroxy-arachidonate C20H31O3 -1 123803 34306 02/07/2014 HC02180 thromboxane-b2 C20H33O6 -1 C05963 5283137 28728 XNRNNGPBEPRNAR-XKHPYWLKSA-M HMDB03252 02/07/2014 HC02187 reverse-triiodthyronine C15H12I3NO4 0 22069 28774 HZCBWYNLGPIQRK-UHFFFAOYSA-N HMDB0060074 02/07/2014 HC02191 lithocholate C24H39O3 -1 C03990 11740284 16325 SMEROWZSTRWXGI-HVATVPOCSA-M HMDB00761 02/07/2014 Bile acid metabolism HC02192 taurolithocholate C26H44NO5S -1 C02592 53477716 36259 QBYUNVOYXHFVKC-GBURMNQMSA-M HMDB00722 02/07/2014 Bile acid metabolism HC02193 glycolithocholate C26H42NO4 -1 C15557 115245 37998 XBSQTYHEGZTYJE-OETIFKLTSA-M HMDB00698 02/07/2014 Bile acid metabolism HC02194 Ursodiol C24H40O4 C24H39O4 -1 C07880 31401 RUDATBOHQWOJDD-ZAXPUSGHSA-M HMDB00946 22/12/2016 Bile acid metabolism HC02195 tauroursodeoxycholate C26H45NO6S 0 BHTRKEVKTKCXOH-LBSADWJPSA-N 02/07/2014 Bile acid synthesis HC02196 glycoursodeoxycholate C26H43NO5 0 12310288 GHCZAUBVMUEKKP-XROMFQGDSA-N HMDB00708 02/07/2014 Bile acid synthesis HC02197 sulfoglycolithocholate(2-) C26H41NO7S -2 C11301 53477756 9347 FHXBAFXQVZOILS-OETIFKLTSA-L HMDB02639 02/07/2014 Bile acid synthesis HC02198 2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfonatooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]penta... C26H43NO8S2 -2 C03642 440071 17864 HSNPMXROZIQAQD-GBURMNQMSA-L HMDB02580 02/07/2014 Bile acid synthesis HC02199 glutathionyl-leuc4 X 0 02/07/2014 HC02200 1-(S-Glutathionyl)-2,4-Dinitrobenzene C16H17N5O10S -2 FXEUKVKGTKDDIQ-UWVGGRQHSA-L 02/07/2014 HC02201 S-Glutathionyl-Ethacrynic-Acid C23H25Cl2N3O9S -2 BIJQYNCUDQBFTN-KBPBESRZSA-L 02/07/2014 HC02202 prostaglandin A1(1-) C20H31O4 -1 C04685 5281912 57398 BGKHCLZFGPIKKU-LDDQNKHRSA-M HMDB02656 02/07/2014 Eicosanoid metabolism HC02203 prostaglandin-a2 C20H29O4 -1 C05953 5280880 27820 MYHXHCUNDDAEOZ-FOSBLDSVSA-M HMDB02752 02/07/2014 Eicosanoid metabolism HC02204 prostaglandin-b1 C20H31O4 -1 C00959 5280388 27624 YBHMPNRDOVPQIN-VSOYFRJCSA-M HMDB02982 02/07/2014 Eicosanoid metabolism HC02205 prostaglandin-b2 C20H29O4 -1 C05954 5288144 28099 PRFXRIUZNKLRHM-HKVRTXJWSA-M HMDB04236 02/07/2014 Eicosanoid metabolism HC02206 prostaglandin C1(1-) C20H31O4 -1 C04686 5280715 57399 PUIBPGHAXSCVRF-QHFGJBOXSA-M HMDB0060104 02/07/2014 Eicosanoid metabolism HC02207 prostaglandin-c2 C20H29O4 -1 C05955 5280882 27555 CMBOTAQMTNMTBD-KLASNZEFSA-M HMDB0060095 02/07/2014 Eicosanoid metabolism HC02208 prostaglandin-d1 C20H33O5 -1 C06438 5280936 27696 CIMMACURCPXICP-PNQRDDRVSA-M HMDB05102 02/07/2014 HC02210 prostaglandin-d3 C20H29O5 -1 C13802 5282260 34939 ANOICLBSJIMQTA-WXGBOJPQSA-M HMDB03034 02/07/2014 HC02213 prostaglandin-e3 C20H29O5 -1 C06439 5280937 28031 CBOMORHDRONZRN-QLOYDKTKSA-M HMDB02664 02/07/2014 Eicosanoid metabolism HC02214 prostaglandin-f1alpha C20H35O5 -1 C06475 5280939 28852 DZUXGQBLFALXCR-CDIPTNKSSA-M HMDB02685 02/07/2014 HC02216 prostaglandin-f2beta C20H33O5 -1 C02314 5280506 28922 PXGPLTODNUVGFL-PTTZIUQESA-M HMDB01483 02/07/2014 HC02217 prostaglandin-g2 C20H31O6 -1 C05956 5280883 27647 SGUKUZOVHSFKPH-YNNPMVKQSA-M HMDB03235 02/07/2014 HC02220 sulfochenodeoxycholate C24H38O7S -2 WHMOBEGYTDWMIG-HEGLNSLBSA-N 02/07/2014 HC02222 mitoApo-ACP X 0 C03688 16139 02/07/2014 CoA synthesis HC02223 mitoACP X 0 C03688 13534 02/07/2014 CoA synthesis HC02228 Hexadecenal C16H30O 0 C06123 KLJFYXOVGVXZKT-UHFFFAOYSA-N 02/07/2014 Sphingolipid metabolism HC10692 3-oxolaur-cis-5-enoyl-CoA X 0 02/07/2014 HC10695 Cis-Laur-5-Enoyl Coenzyme A C33H52N7O17P3S -4 RCVJZGBRLGUTKT-HTMDDOFJSA-J 02/07/2014 HC10782 3-oxomyrist-7-enoyl-CoA X 0 02/07/2014 HC10784 Cis-Myrist-7-Enoyl Coenzyme A C35H56O17P3SN7 -4 02/07/2014 HC10852 palmitoleyl-CoA(4-) C37H60N7O17P3S -4 61540 02/07/2014 Fatty acid oxidation HC10853 3-oxopalmitoleoyl-CoA X 0 02/07/2014 HC10854 palmitoleoyl-Carnitine X 0 02/07/2014 Fatty acid oxidation HC10855 linoleic-Carnitine X 0 02/07/2014 Fatty acid oxidation HC10856 Trans,Cis-Octadeca-2,9-Dienoyl Coenzyme A C39H62N7O17P3S -4 REOYMONHGHULEY-PPSVNWDXSA-J 02/07/2014 Fatty acid oxidation HC10857 (S)-3-Hydroxyoleyleoyl Coenzyme A C39H64N7O18P3S -4 LHAYYTCFPMUQNR-DFXYPYGHSA-J 02/07/2014 Fatty acid oxidation HC10858 3-Oxooleoyl Coenzyme A C39H62N7O18P3S -4 AIBRRZPWIUCLCH-DJVIHCHSSA-J 02/07/2014 Fatty acid oxidation HC10859 Malonylcarnitine C10H17NO6 -2 22833583 ZGNBLKBZJBJFDG-SSDOTTSWSA-N HMDB02095 02/07/2014 Fatty acid oxidation HC11102 cis-(3S)-hydroxytetradec-7-enoyl-CoA X 0 02/07/2014 HC12591 trans,cis-hexadeca-2,9-dienoyl-CoA X 0 02/07/2014 HC12592 (S)-3-hydroxypalmitoleoyl-CoA X 0 02/07/2014 HC12594 trans,cis-myristo-2,7-dienoyl-CoA X 0 02/07/2014 HC12596 trans,cis-dodeca-2,5-dienoyl-CoA X 0 02/07/2014 HC12597 3(S)-3-hydroxydodecen-(5Z)-oyl-CoA X 0 02/07/2014 hca24g Hyocholic acid-24glucuronide, HCA-24G C30H47O11 -1 03/01/2017 Bile acid synthesis hca6g Hyocholic acid-6glucuronide, HCA-6G C30H47O11 -1 03/01/2017 Bile acid synthesis hchlbctn Hydroxychlorobactene C40H54O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism hchpdnt 2-Hydroxy-3-chloropenta-2,4-dienoate C5H4O3Cl -1 19/09/2018 Xenobiotics metabolism hcit Homocitrate C7H10O7 C7H7O7 -3 C01251 439459 17852 XKJVEVRQMLKSMO-SSDOTTSWSA-N OC(=O)CCC(O)(CC(O)=O)C(O)=O HMDB03518 02/07/2014 Lysine metabolism hcl hydrochloric acid HCl 0 02/07/2014 hco3 Bicarbonate CHO3 -1 C00288 769 17544 BVKZGUZCCUSVTD-UHFFFAOYSA-M HMDB00595 02/07/2014 Arginine and proline metabolism hcoumarin umbelliferone C9H6O3 0 C09315 5281426 27510 ORHBXUUXSCNDEV-UHFFFAOYSA-N HMDB0029865 02/07/2014 Cytochrome metabolism hcsnact Hydrocortisone acetate C23H32O6 0 19/09/2018 Steroid metabolism hctectnt (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate C20H31O3 -1 19/09/2018 Glutathione metabolism hcys_L L-homocysteine C4H9NO2S 0 C00155 778 17588 FFFHZYDWPBMWHY-VKHMYHEASA-N HMDB00742 02/07/2014 Glycine, serine, alanine, and threonine metabolism hdca Hexadecanoate (n-C16:0) C16H31O2 -1 C00249 985 15756 IPCSVZSSVZVIGE-UHFFFAOYSA-M HMDB00220 02/07/2014 Cytochrome metabolism hdca24g Hyodeoxycholic acid-24glucuronide, HDCA-24G C30H47O10 -1 03/01/2017 Bile acid synthesis hdca6g Hyodeoxycholic acid-6glucuronide, HDCA-6G C30H47O10 -1 03/01/2017 Bile acid synthesis hdcea Hexadecenoate (n-C16:1) C16H29O2 -1 C08362 445638 28716 SECPZKHBENQXJG-FPLPWBNLSA-M HMDB03229 02/07/2014 Fatty acid oxidation hdcecrn Hexadecenoyl carnitine C23H43NO4 0 C02990 11953816 17490 JFAGPSOZZSTLRF-KUFMOJEASA-N HMDB00222 02/07/2014 Fatty acid oxidation hdcoa Hexadecenoyl-CoA (n-C16:1CoA) C37H60N7O17P3S -4 53477852 QBYOCCWNZAOZTL-MDMKAECGSA-J HMDB06532 02/07/2014 Fatty acid oxidation hdd2coa trans-Hexadec-2-enoyl-CoA C37H60N7O17P3S -4 C05272 46173176 61526 JUPAQFRKPHPXLD-JSJBGSCHSA-J HMDB03945 02/07/2014 Fatty acid oxidation hdd2crn trans-Hexadec-2-enoyl carnitine C23H43NO4 0 53477817 SOYNLLDADLOGAM-ISLYRVAYSA-N HMDB06317 02/07/2014 Fatty acid oxidation hdeACP cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1) C27H49N2O8PRS -1 02/07/2014 Fatty acid oxidation hdl_hs High Density Lipoprotein X 0 03/01/2017 Glycerophospholipid metabolism hdn5ppnt Hydantoin-5-propionate C6H7N2O4 -1 19/09/2018 Histidine metabolism hdxlamn Hydroxylamine H3NO 0 19/09/2018 Alanine and aspartate metabolism hedepecoa 2,4,7,10,13-hexadecapentenoylcoa C37H52N7O17P3S -4 02/07/2014 hemeO Heme O C49H56FeN4O5 -2 02/07/2014 Heme synthesis hepcoa heptanoylcoa C28H44N7O17P3S -4 53481563 37283 CHVYGJMBUXUTSX-SVHODSNWSA-J HMDB12969 02/07/2014 Fatty acid oxidation hepdeceth Heptadecanoyl Thanolamide (C17:0) C19H39NO2 0 GCCFMSAXQJECNH-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism hepdp all-trans-Heptaprenyl diphosphate C35H57O7P2 -3 02/07/2014 Terpenoid backbone biosynthesis hestratriol 4,17 dihydroxy estradiol C18H24O3 0 C14209 44348689 62845 QOZFCKXEVSGWGS-ZHIYBZGJSA-N HMDB05896 02/07/2014 Androgen and estrogen synthesis and metabolism hethmpp Hydroxy ethyl Thiamin diphosphate C14H20N4O8P2S -2 02/07/2014 Glycolysis/gluconeogenesis hexa hexa[c] X 0 02/07/2014 Fatty acid oxidation hexACP Hexanoyl-ACP (n-C6:0ACP) C17H31N2O8PRS -1 02/07/2014 Fatty acid synthesis hexc cerotate C26H51O2 -1 10469 31009 XMHIUKTWLZUKEX-UHFFFAOYSA-M HMDB02356 02/07/2014 Fatty acid synthesis hexccoa Hexacosanoyl-CoA (n-C26:0CoA) C47H82N7O17P3S -4 25246198 64868 FHLYYFPJDVYWQH-GHTQTPJDSA-J HMDB06459 02/07/2014 Fatty acid oxidation hexccrn hexacosanoyl carnitine C33H65NO4 0 53477828 KOCKWDDTAHPJSX-UHFFFAOYSA-N HMDB06347 02/07/2014 Fatty acid oxidation hexddcoa 7,10-hexadecadienoylcoa C37H58N7O17P3S -4 OKKMIEAMIHILAM-BBECNAHFSA-J 02/07/2014 Fatty acid oxidation hexde7coa 7-hexadecenoylcoa C37H60N7O17P3S -4 MJWMOLDKMBISOB-BBECNAHFSA-J 02/07/2014 Fatty acid oxidation hexdeceeth Hexadecenoyl Ethanolamide, C16:1-Ethanolamide (Delta 9) C18H35NO2 0 HXYVTAGFYLMHSO-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism hexdectecoa 2,4,7,10-hexadecatetraenoylcoa C37H54N7O17P3S -4 DNBBSGAGPHVPCV-NDRFOXSTSA-J 02/07/2014 Fatty acid oxidation hexdiac hexadecanediocacid C16H28O4 -2 C19615 10459 QQHJDPROMQRDLA-UHFFFAOYSA-L HMDB00672 02/07/2014 Fatty acid oxidation hexdicoa hexadecanedioylcoa C37H59N7O19P3S -5 GTCSHNMTNCXODY-VUNKUNIZSA-I 02/07/2014 Fatty acid oxidation hexdp all-trans-Hexaprenyl diphosphate C30H49O7P2 -3 02/07/2014 Terpenoid backbone biosynthesis hexdpencoa 2,4,7,10,13-hexadecapentaenoylcoa C37H52N7O17P3S -4 HVDWUYYZEXILFX-VOGPJLKTSA-J 02/07/2014 Fatty acid oxidation hexdtr (Z,Z,Z)-7,10,13-Hexadecatrienoic Acid C16H25O2 -1 ACMRMRCQUBMLNH-SPOHZTNBSA-M 03/01/2017 Fatty acid oxidation hexdtrcoa 7,10,13-hexadecatrienoylcoa C37H56N7O17P3S -4 ABCIQUBYFOVMTP-FCMSQOBCSA-J 02/07/2014 Fatty acid oxidation hexe3coa 3-hexenoylcoa C27H40N7O17P3S -4 53477848 SKDDJNFRAZIJIG-PFNGVMQSSA-J HMDB06522 02/07/2014 Fatty acid oxidation hexgly Hexanoyl-Glycine C8H14NO3 -1 UPCKIPHSXMXJOX-UHFFFAOYSA-M 03/01/2017 Glycine, serine, alanine, and threonine metabolism hexs hexanesulfonate C6H14O3S C6H13O3S -1 02/07/2014 Respiration hf Hydrogen fluoride F -1 19/09/2018 Xenobiotics metabolism hg Mercury H2Hg 2 19/09/2018 Inorganic ion metabolism hg2 Hg2+ Hg 2 02/07/2014 Inorganic ion metabolism hgbam Hydrogenobyrinate a,c diamide C45H62N6O12 C45H58N6O12 -4 C06503 8734 27914 [H][C@]12N=C(\C(C)=C3/N=C(/C=C4\N=C(\C(C)=C5/N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)C(C)(C)[... 02/07/2014 Vitamin B12 metabolism hgbyr Hydrogenobyrinate C45H54N4O14 -6 C06399 02/07/2014 Vitamin B12 metabolism hgentis homogentisate C8H7O4 -1 C00544 780 44747 IGMNYECMUMZDDF-UHFFFAOYSA-M HMDB00130 02/07/2014 Tyrosine metabolism hhlipa heptosyl-heptosyl-kdo2-lipidA C124H220N2O51P2 -6 02/07/2014 Lipopolysaccharide biosynthesis hhxdcal 2-Hydroxyhexadecanal C16H32O2 0 BKBDVQVDRVGXKT-UHFFFAOYSA-N 03/01/2017 Sphingolipid metabolism hibcoa S__3_Hydroxyisobutyryl_CoA C25H39N7O18P3S 0 02/07/2014 hicit Homoisocitrate (iMM904) C7H7O7 -3 C05662 08/03/2016 2-Oxocarboxylic acid metabolism his_L L-histidine C6H9N3O2 0 C00135 6274 15971 HNDVDQJCIGZPNO-YFKPBYRVSA-N HMDB00177 02/07/2014 Beta-alanine metabolism hisargcys Histidyl-Arginyl-Cysteine C15H27N8O4S 1 JHVCZQFWRLHUQR-DCAQKATOSA-M 03/01/2017 Peptide metabolism hisargser Histidyl-Arginyl-Serine C15H27N8O5 1 ZPVJJPAIUZLSNE-AXFHLTTASA-O 03/01/2017 Peptide metabolism hisasp Histidyl-Aspartate C10H13N4O5 -1 MDCTVRUPVLZSPG-NKWVEPMBSA-M 03/01/2017 Peptide metabolism hiscyscys Histidyl-Cystyl-Cysteine C12H19N5O4S2 0 UVUIXIVPKVMONA-YIZRAAEISA-N 03/01/2017 Peptide metabolism hisglnala Histidyl-Glutaminyl-Alanine C14H22N6O5 0 UPGJWSUYENXOPV-UJNFCWOMSA-N 03/01/2017 Peptide metabolism hisglu Histidyl-Glutamate C11H15N4O5 -1 VHOLZZKNEBBHTH-JGVFFNPUSA-M 03/01/2017 Peptide metabolism hisglugln Histidyl-Glutamyl-Glutamine C16H23N6O7 -1 BQFGKVYHKCNEMF-AXFHLTTASA-M 03/01/2017 Peptide metabolism hisglylys Histidyl-Lysyl-Lysine C14H25N6O4 1 UMBKDWGQESDCTO-KKUMJFAQSA-M 03/01/2017 Peptide metabolism hishislys Histidyl-Histidyl-Lysine C18H29N8O4 1 AKAPKBNIVNPIPO-KKUMJFAQSA-M 03/01/2017 Peptide metabolism hislysala Histidyl-Lysyl-Alanine C15H27N6O4 1 PGRPSOUCWRBWKZ-ZMLRMANQSA-O 03/01/2017 Peptide metabolism hislysglu Histidyl-Lysyl-Glutamate C17H28N6O6 0 JUIOPCXACJLRJK-XQQFMLRXSA-N 03/01/2017 Peptide metabolism hislysile Histidyl-Lysyl-Isoleucine C18H33N6O4 1 LDFWDDVELNOGII-MXAVVETBSA-M 03/01/2017 Peptide metabolism hislysthr Histidyl-Lysyl-Threonine C16H29N6O5 1 BKOVCRUIXDIWFV-SYEHKZFSSA-O 03/01/2017 Peptide metabolism hislysval Histidyl-Lysyl-Valine C17H31N6O4 1 TVMNTHXFRSXZGR-IHRRRGAJSA-M 03/01/2017 Peptide metabolism hismet Histidyl-Methionine C11H18N4O3S 0 AYIZHKDZYOSOGY-IUCAKERBSA-M 03/01/2017 Peptide metabolism hismetgln Histidyl-Methionyl-Glutamine C16H26N6O5S 0 NKRWVZQTPXPNRZ-TUAOUCFPSA-N 03/01/2017 Peptide metabolism hisp L-Histidinol phosphate C6H11N3O4P -1 02/07/2014 Histidine metabolism hisphearg Histidyl-Phenylalanyl-Arginine C21H31N8O4 1 AYUOWUNWZGTNKB-YESZJQIVSA-O 03/01/2017 Peptide metabolism hisprolys Histidyl-Prolyl-Lysine C17H29N6O4 1 PGXZHYYGOPKYKM-IHRRRGAJSA-O 03/01/2017 Peptide metabolism hista Histamine C5H10N3 1 C00388 774 18295 NTYJJOPFIAHURM-UHFFFAOYSA-O HMDB00870 02/07/2014 Histidine metabolism histd L-Histidinol C6H12N3O 1 HMDB03431 02/07/2014 Histidine metabolism histl_L L-Histidinal C6H9N3O C6H10N3O 1 HMDB0012234 02/07/2014 Histidine metabolism histrna L-Histidyl-tRNA(His) C6H8N3OR 1 02/07/2014 tRNA Charging histrphis Histidyl-Tryptophanyl-Histidine C23H26N8O4 0 XSEAJSPAOTZXJE-SXLOBPIMSA-N 03/01/2017 Peptide metabolism hkmpp 2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate C6H11O6PS C6H9O6PS -2 C15651 17396641 50605 [H]C(OP(O)(O)=O)=C(O)C(=O)CCSC 02/07/2014 Methionine and cysteine metabolism hkndd 2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate C9H8O6 -2 02/07/2014 Phenylalanine metabolism hkntd 2-hydroxy-6-ketononatrienedioate C9H6O6 -2 02/07/2014 Phenylalanine metabolism hlipa heptosyl-kdo2-lipidA C117H208N2O45P2 -6 02/07/2014 Lipopolysaccharide biosynthesis hLkynr 3-hydroxy-L-kynurenine C10H12N2O4 0 C02794 89 17380 VCKPUUFAIGNJHC-LURJTMIESA-N HMDB00732 02/07/2014 Tryptophan metabolism hmanthnt 3-Hydroxy-4-methylanthranilate C8H8NO3 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism hmbil Hydroxymethylbilane C40H38N4O17 -8 C01024 788 16645 WDFJYRZCZIUBPR-UHFFFAOYSA-F HMDB01137 02/07/2014 Heme synthesis hmcarn Homocarnosine C10H16N4O3 0 C00884 10243361 CCLQKVKJOGVQLU-QMMMGPOBSA-N HMDB00745 03/01/2017 Histidine metabolism hmcr Homocitrulline C7H15N3O3 0 C02427 65072 XIGSAGMEBXLVJJ-YFKPBYRVSA-N HMDB00679 03/01/2017 Lysine metabolism hmeth Homomethionine C6H13NO2S 0 19/09/2018 Glucosinolate biosynthesis hmfurn 4-hydroxy-5-methyl-3(2H)-furanone C5H6O3 0 02/07/2014 hmgcoa Hydroxymethylglutaryl-CoA C27H39N7O20P3S -5 C00356 439218 15467 CABVTRNMFUVUDM-VRHQGPGLSA-I HMDB01375 02/07/2014 Butanoate metabolism hmgth hydroxymethylglutathione C11H18N3O7S -1 HMDB04662 02/07/2014 Methane metabolism hmma N-Methylhexanamide C7H15NO C7H15NO 0 C02722 01/07/2019 Xenobiotics metabolism hmppp9mme 13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester C35H33N4O5Mg -1 08/03/2016 Porphyrin and chlorophyll metabolism hmpsuccoa (Hydroxymethylphenyl)succinyl-CoA C32H42N7O20P3S -4 19/09/2018 Toluene degradation hmthurea N-(Hydroxymethyl)urea C2H6N2O2 0 19/09/2018 Nitrogen metabolism hnifedipine hydroxy nifedipine C17H18N2O7 0 C07266 4485 HYIMSNHJOBLJNT-UHFFFAOYSA-N HMDB0015247 02/07/2014 Cytochrome metabolism hoacoa 3-hydroxyadipyl-CoA C27H44N7O20P3S C27H40N7O20P3S -4 C14145 18/03/2015 Cell wall biosynthesis hololys2 Holo-Lys2 HRS 0 08/03/2016 Lysine metabolism hom_L L-homoserine C4H9NO3 0 C00263 12647 15699 UKAUYVFTDYCKQA-VKHMYHEASA-N HMDB00719 02/07/2014 Glycine, serine, alanine, and threonine metabolism homogal Homogalacturonan, 100 galacturonate residues. Assumed to be methylated/ acetylated in every 5th residue. Citrus HG consists of 7... C660H840O660 -120 02/07/2014 Plant polysaccharide degradation homoval Homovanillate C9H9O4 -1 C05582 1738 545959 QRMZSPFSDQBLIX-UHFFFAOYSA-M HMDB00118 02/07/2014 Miscellaneous hpdca margarate C17H33O2 -1 10465 32365 KEMQGTRYUADPNZ-UHFFFAOYSA-M HMDB02259 02/07/2014 Fatty acid synthesis hpdcacoa heptadecanoyl coa C38H64N7O17P3S -4 3082004 DRABUZIHHACUPI-DUPKZGIXSA-J HMDB06497 02/07/2014 Fatty acid oxidation hpdcacrn heptadecanoyl carnitine C24H47NO4 0 53477803 DWSFAVOTORHAAL-UHFFFAOYSA-N HMDB06210 02/07/2014 Fatty acid oxidation hpdece Trans-Delta-2-Heptadecanoic Acid C15H27O2 -1 HOGWBMWOBRRKCD-BUHFOSPRSA-M 03/01/2017 Fatty acid oxidation hpdececoa Trans-Delta-2-Heptadecanoyl Coenzyme A C36H58N7O17P3S -4 BUFWYEICGKLDLP-FOCLMDBBSA-J 03/01/2017 Fatty acid oxidation hpglu Tetrahydropteroyltri-L-glutamate C29H37N9O12 C29H33N9O12 -4 C04144 6829 17420 C1[C@@H](NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O HMDB12290 16/07/2014 hphaccoa 4-Hydroxyphenylacetyl-CoA C29H38N7O18P3S -4 HMDB03967 09/03/2015 Tyrosine metabolism hphebafn 2-(2-Hydroxyphenyl)benzenesulfinate C12H9O3S -1 19/09/2018 Xenobiotics metabolism hphethamn p-Hydroxyphenylethanolamine C8H12NO2 1 19/09/2018 Primary amine metabolism hphhlipa heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA C131H231N2O60P3 -8 02/07/2014 Lipopolysaccharide biosynthesis hphodcnt (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate C18H35O7P -2 19/09/2018 Fatty acid oxidation hphtho 4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one C10H11NO3 0 19/09/2018 Xenobiotics metabolism hpyr 3-hydroxypyruvate C3H3O4 -1 C00168 964 30841 HHDDCCUIIUWNGJ-UHFFFAOYSA-M HMDB01352 02/07/2014 Glycine, serine, alanine, and threonine metabolism hpyraldp Hydroxypyruvaldehyde phosphate C3H3O6P -2 C16849 21/05/2021 Phenylalanine metabolism hqn Hydroquinone C6H6O2 0 HMDB02434 02/07/2014 Glycolysis/gluconeogenesis hretn 4 hydroxy retinoic acid C20H27O3 -1 C16677 6438629 63795 KGUMXGDKXYTTEY-FRCNGJHJSA-M HMDB06254 02/07/2014 Vitamin A metabolism hs heparan sulfate, free chain C79H114N5O102S12 -13 C00925 53477714 28815 WKPUACLQLIIVJJ-RHKLHVFKSA-M HMDB00693 02/07/2014 Heparan sulfate degradation hs_deg1 heparan sulfate, degradation product 1 C79H115N5O99S11 -12 02/07/2014 Heparan sulfate degradation hs_deg10 heparan sulfate, degradation product 10 C55H80N3O70S8 -9 02/07/2014 Heparan sulfate degradation hs_deg11 heparan sulfate, degradation product 11 C55H81N3O67S7 -8 02/07/2014 Heparan sulfate degradation hs_deg12 heparan sulfate, degradation product 12 C55H82N3O64S6 -7 02/07/2014 Heparan sulfate degradation hs_deg13 heparan sulfate, degradation product 13 C55H83N3O61S5 -6 02/07/2014 Heparan sulfate degradation hs_deg14 heparan sulfate, degradation product 14 C57H84N3O62S5 -7 02/07/2014 Heparan sulfate degradation hs_deg15 heparan sulfate, degradation product 15 C49H71N2O57S5 -7 02/07/2014 Heparan sulfate degradation hs_deg16 heparan sulfate, degradation product 16 C49H72N2O54S4 -6 02/07/2014 Heparan sulfate degradation hs_deg17 heparan sulfate, degradation product 17 C43H65N2O48S4 -5 02/07/2014 Heparan sulfate degradation hs_deg18 heparan sulfate, degradation product 18 C43H66N2O45S3 -4 02/07/2014 Heparan sulfate degradation hs_deg19 heparan sulfate, degradation product 19 C43H67N2O42S2 -3 02/07/2014 Heparan sulfate degradation hs_deg2 heparan sulfate, degradation product 2 C79H116N5O96S10 -11 02/07/2014 Heparan sulfate degradation hs_deg20 heparan sulfate, degradation product 20 C45H68N2O43S2 -4 02/07/2014 Heparan sulfate degradation hs_deg21 IdoA2S-beta-1,4-GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose C37H55NO38S2 -4 02/07/2014 Heparan sulfate degradation hs_deg22 IdoA-beta-1,4-GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose C37H56NO35S -3 02/07/2014 Heparan sulfate degradation hs_deg23 GlcNAc(3S)-alpha-1,4-GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose C31H49NO29S -2 02/07/2014 Heparan sulfate degradation hs_deg24 GlcNAc-GlcA-(Gal)2-Xyl C31H50NO26 -1 02/07/2014 Heparan sulfate degradation hs_deg25 GlcA-beta-1,3-Gal-beta-1,3-Gal-beta-1,4-Xylose C23H37O21 -1 02/07/2014 Heparan sulfate degradation hs_deg3 heparan sulfate, degradation product 3 C81H117N5O97S10 -12 02/07/2014 Heparan sulfate degradation hs_deg4 heparan sulfate, degradation product 4 C73H104N4O92S10 -12 02/07/2014 Heparan sulfate degradation hs_deg5 heparan sulfate, degradation product 5 C67H97N4O86S10 -11 02/07/2014 Heparan sulfate degradation hs_deg6 heparan sulfate, degradation product 6 C67H98N4O83S9 -10 02/07/2014 Heparan sulfate degradation hs_deg7 heparan sulfate, degradation product 7 C67H99N4O80S8 -9 02/07/2014 Heparan sulfate degradation hs_deg8 heparan sulfate, degradation product 8 C69H100N4O81S8 -10 02/07/2014 Heparan sulfate degradation hs_deg9 heparan sulfate, degradation product 9 C61H87N3O76S8 -10 02/07/2014 Heparan sulfate degradation hs_pre1 heparan sulfate, precursor 1 C31H49NO25X -1 02/07/2014 Chondroitin synthesis hs_pre10 (GlcN2S-GlcA)4-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C79H121N5O77S4X -5 02/07/2014 Chondroitin synthesis hs_pre11 (GlcN2S-IdoA-GlcN2S-GlcA)2-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C79H121N5O77S4X -5 02/07/2014 Chondroitin synthesis hs_pre12 GlcN2S-IdoA-GlcN2S-GlcA2S-GlcN2S-IdoA2S-GlcN2S-GlcA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C79H119N5O83S6X -7 02/07/2014 Chondroitin synthesis hs_pre13 GlcN2S-IdoA-GlcN2,6diS-GlcA2S-GlcN2,6diS-IdoA2S-GlcN2,6diS-GlcA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C79H116N5O92S9X -10 02/07/2014 Chondroitin synthesis hs_pre14 heparan sulfate, precursor 14 C79H115N5O95S10X -11 02/07/2014 Chondroitin synthesis hs_pre15 heparan sulfate, precursor 15 C79H114N5O98S11X -12 02/07/2014 Chondroitin synthesis hs_pre2 heparan sulfate, precursor 2 C37H56NO31X -2 02/07/2014 Chondroitin synthesis hs_pre3 GlcNAc-GlcA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C45H69N2O36X -2 02/07/2014 Chondroitin synthesis hs_pre4 GlcA-GlcNAc-GlcA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C51H76N2O42X -3 02/07/2014 Chondroitin synthesis hs_pre5 (GlcNAc-GlcA)2-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C59H89N3O47X -3 02/07/2014 Chondroitin synthesis hs_pre6 GlcA-(GlcNAc-GlcA)2-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C65H96N3O53X -4 02/07/2014 Chondroitin synthesis hs_pre7 (GlcNAc-GlcA)3-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C73H109N4O58X -4 02/07/2014 Chondroitin synthesis hs_pre8 GlcA-(GlcNAc-GlcA)3-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C79H116N4O64X -5 02/07/2014 Chondroitin synthesis hs_pre9 (GlcNAc-GlcA)4-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein) C87H129N5O69X -5 02/07/2014 Chondroitin synthesis hspdn Hydroxyspheroidene C41H62O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism hspdnn Hydroxyspheroidenone C41H60O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism hspg heparan sulfate proteoglycan C79H113N5O101S12X -13 02/07/2014 Chondroitin synthesis hspg_degr_1 Heparan sulfate degradation product 1 C24H33O36N2S5 -7 02/07/2014 Drug metabolism hspg_degr_10 Heparan sulfate degradation product 10 C43H66N2O38SX -3 02/07/2014 Heparan sulfate degradation hspg_degr_11 Heparan sulfate degradation product 11 C43H67N2O35X -2 02/07/2014 Heparan sulfate degradation hspg_degr_12 Heparan sulfate degradation product 12 C37H56NO31X -2 02/07/2014 Drug metabolism hspg_degr_13 Heparan sulfate degradation product 13 C31H49NO25X -1 02/07/2014 Drug metabolism hspg_degr_14 Heparan sulfate degradation product 14 C23H36O20X -1 02/07/2014 Heparan sulfate degradation hspg_degr_15 Heparan sulfate degradation product 15 C17H29O14X 0 02/07/2014 Heparan sulfate degradation hspg_degr_2 Heparan sulfate degradation product 2 C49H71N2O56S5X -6 02/07/2014 Drug metabolism hspg_degr_3 Heparan sulfate degradation product 3 C18H26O30N2S5 -6 02/07/2014 Heparan sulfate degradation hspg_degr_4 Heparan sulfate degradation product 4 C18H28O24N2S3 -4 02/07/2014 Heparan sulfate degradation hspg_degr_5 Heparan sulfate degradation product 5 C18H29O21N2S2 -3 02/07/2014 Heparan sulfate degradation hspg_degr_6 Heparan sulfate degradation product 6 C18H31O15N2 -1 02/07/2014 Heparan sulfate degradation hspg_degr_7 Heparan sulfate degradation product 7 C49H71N2O50S3X -6 02/07/2014 Heparan sulfate degradation hspg_degr_8 Heparan sulfate degradation product 8 C43H64N2O44S3X -5 02/07/2014 Heparan sulfate degradation hspg_degr_9 Heparan sulfate degradation product 9 C43H65N2O41S2X -4 02/07/2014 Heparan sulfate degradation hspg_rest Undegradable product Heparan sulfate C5H9O4X 0 02/07/2014 Heparan sulfate degradation hspmd Homospermidine C8H24N3 3 19/09/2018 Arginine and proline metabolism hst Hesperetin C16H14O6 C16H14O6 0 C01709 72281 01/03/2019 Drug metabolism hst_3_glc Hesperetin 3-O-Glucuronide (Aglycone Of Hesperidin) C22H22O12 C22H21O12 -1 46896123 01/03/2019 Drug metabolism hst_3_s Hesperetin 3-O-Sulfate C16H14O9S C16H13O9S -1 01/03/2019 Drug metabolism hst_37_diglc Hesperetin 3,7-Diglucuronide C28H30O18 C28H28O18 -2 131753194 01/03/2019 Drug metabolism hst_3glc_7s Hesperetin 3-O-Glucuronide 7-Sulfate C22H22O15S C22H21O15S -1 01/03/2019 Drug metabolism hst_7_glc Hesperetin 7-O-Glucuronide (Aglycone Of Hesperidin) C22H22O12 C22H21O12 -1 131750809 01/03/2019 Drug metabolism hst_7_s Hesperetin 7-O-Sulfate C16H14O9S C16H13O9S -1 125273135 01/03/2019 Drug metabolism hst_7glc_3s Hesperetin 7-O-Glucuronide 3-Sulfate C22H22O15S C22H21O15S -1 01/03/2019 Drug metabolism hsxnthn Hydroxyspirilloxanthin C41H58O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism htaxol 6 alpha hydroxy taxol/ 6 alpha hydroxy paclitaxel C47H31NO15 0 NDCWHEDPSFRTDA-FJMWQILYSA-N 02/07/2014 Cytochrome metabolism hx2coa trans-Hex-2-enoyl-CoA C27H40N7O17P3S -4 C05271 5280765 62077 OINXHIBNZUUIMR-IXUYQXAASA-J HMDB03944 02/07/2014 Butanoate metabolism hxa Hexanoate (n-C6:0) C6H11O2 -1 FUZZWVXGSFPDMH-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation hxal hexanal C6H12O C6H12O 0 HMDB05994 02/07/2014 Respiration hxan Hypoxanthine C5H4N4O 0 C00262 790 17368 FDGQSTZJBFJUBT-UHFFFAOYSA-N HMDB00157 02/07/2014 Nucleotide interconversion hxcoa Hexanoyl-CoA (n-C6:0CoA) C27H42N7O17P3S -4 C05270 440611 OEXFMSFODMQEPE-HDRQGHTBSA-J HMDB02845 02/07/2014 Butanoate metabolism hxdcal hexadecanal C16H32O 0 C00517 984 17600 NIOYUNMRJMEDGI-UHFFFAOYSA-N HMDB01551 02/07/2014 Fatty acid oxidation hxhmmthn Hexahomomethionine C11H23NO2S 0 19/09/2018 Glucosinolate biosynthesis hxs Hexose C6H12O6 0 19/09/2018 Glycolysis/gluconeogenesis hymcrmn Hymecromone C10H8O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism hyochol Hyocholic acid; gamma-Muricholate C24H39O5 -1 C17649 96023992 81244 DKPMWHFRUGMUKF-KWXDGCAGSA-N HMDB00760 03/01/2017 Bile acid synthesis hyptaur Hypotaurine C2H7NO2S 0 C00519 107812 16668 VVIUBCNYACGLLV-UHFFFAOYSA-N HMDB00965 02/07/2014 Taurine and hypotaurine metabolism i iodide I -1 C00708 30165 16382 XMBWDFGMSWQBCA-UHFFFAOYSA-M HMDB0012238 02/07/2014 Tyrosine metabolism i14tca1 Isotetradecanoyllipoteichoic acid (n=24), linked, unsubstituted C115H224O135P24 -24 02/07/2014 Cell wall biosynthesis i14tcaacgam Isotetradecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C307H536N24O255P24 -24 02/07/2014 Cell wall biosynthesis i14tcaala_D Isotetradecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C187H320O135N24P24 0 30/09/2014 Cell wall biosynthesis i14tcaglc Isotetradecanoyllipoteichoic acid (n=24), linked, glucose substituted X C259H464O255P24 -24 30/09/2014 Cell wall biosynthesis i15tca1 Isopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted C117H228O135P24 -24 02/07/2014 Cell wall biosynthesis i15tcaacgam Isopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C309H540N24O255P24 -24 02/07/2014 Cell wall biosynthesis i15tcaala_D Isopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C189H324O135N24P24 0 30/09/2014 Cell wall biosynthesis i15tcaglc Isopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted X C261H468O255P24 -24 30/09/2014 Cell wall biosynthesis i16tca1 Isohexadecanoyllipoteichoic acid (n=24), linked, unsubstituted C119H232O135P24 -24 02/07/2014 Cell wall biosynthesis i16tcaacgam Isohexadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C311H544N24O255P24 -24 02/07/2014 Cell wall biosynthesis i16tcaala_D Isohexadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C191H328O135N24P24 0 30/09/2014 Cell wall biosynthesis i16tcaglc Isohexadecanoyllipoteichoic acid (n=24), linked, glucose substituted X C263H472O255P24 -24 30/09/2014 Cell wall biosynthesis i17tca1 Isoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted C121H236O135P24 -24 02/07/2014 Cell wall biosynthesis i17tcaacgam Isoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C313H548N24O255P24 -24 02/07/2014 Cell wall biosynthesis i17tcaala_D Isoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted X C193H332O135N24P24 0 30/09/2014 Cell wall biosynthesis i17tcaglc Isoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted X C265H476O255P24 -24 30/09/2014 Cell wall biosynthesis iacmbn Isoandrocymbine C21H25NO5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism iadn Icosadienoic acid C20H35O2 -1 28/09/2018 iadnlcoa (11Z,14Z)-Icosadienoyl-CoA C41H67N7O17P3S -3 19/09/2018 iasp Iminoaspartate C4H3NO4 -2 HMDB01131 02/07/2014 Alanine and aspartate metabolism iatnlcoa (11Z,14Z,17Z)-Icosatrienoyl-CoA C41H65N7O17P3S -3 19/09/2018 ib_p isobutyryl_phosphate C4H4NO4 0 02/07/2014 ibcoa isobutyryl-CoA(4-) C25H38N7O17P3S -4 C00630 3036931 15479 AEWHYWSPVRZHCT-NDZSKPAWSA-J HMDB01243 02/07/2014 Fatty acid metabolism ibtlamn Isobutylamine C4H12N 1 19/09/2018 Valine, leucine, and isoleucine metabolism ibup_R ibuprofen-R C13H18O2 C13H17O2 -1 C01588 3672 HMDB01925 02/07/2014 Drug metabolism ibup_S ibuprofen-S C13H18O2 C13H17O2 -1 D00126 3672 HMDB01925 02/07/2014 Drug metabolism ibupcoa_R ibuprofen-CoA-R form C34H52N7O17P3S C34H48N7O17P3S -4 02/07/2014 Drug metabolism ibupcoa_S ibuprofen-CoA-S form C34H52N7O17P3S C34H48N7O17P3S -4 02/07/2014 Drug metabolism ibupgluc ibuprofen acyl glucuronide C19H26O8 C19H25O8 -1 02/07/2014 Drug metabolism icdchol Isochenodeoxycholate C24H40O4 C24H39O4 -1 C17660 22/12/2016 Bile acid metabolism ichor Isochorismate C10H8O6 -2 02/07/2014 Biosynthesis of siderophore group nonribosomal peptides icit Isocitrate C6H5O7 -3 C00311 1198 30887 ODBLHEXUDAPZAU-UHFFFAOYSA-K HMDB00193 02/07/2014 Citric acid cycle icolipa inner core oligosaccharide lipid A (E coli) C145H251N2O74P4 -11 02/07/2014 Lipopolysaccharide biosynthesis icprencoa Isocaprenoyl-CoA C27H44N7O17P3S C27H40N7O17P3S -4 C21090 20/12/2017 Valine, leucine, and isoleucine metabolism icryplmn Isocorypalmine C20H23NO4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism id3acald indol-3-ylacetaldehyde C10H9NO 0 C00637 800 18086 WHOOUMGHGSPMGR-UHFFFAOYSA-N HMDB01190 02/07/2014 Tryptophan metabolism idl_hs Intermediate Density Lipoprotein X 0 03/01/2017 Glycerophospholipid metabolism idon_L L-Idonate C6H11O7 -1 02/07/2014 Pentose and glucuronate interconversions idour L-iduronate C6H9O7 -1 C06472 18845 28481 IAJILQKETJEXLJ-SKNVOMKLSA-M HMDB02704 02/07/2014 Chondroitin sulfate degradation idp IDP(3-) C10H11N4O11P2 -3 C00104 644173 17808 JPXZQMKKFWMMGK-KQYNXXCUSA-K HMDB03335 02/07/2014 Aminosugar metabolism idt L_Iditol X 0 02/07/2014 iflrpht Isoflurophate C6H14O3PF 0 19/09/2018 Xenobiotics metabolism ihdcardlip_Bsub Isoheptadecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 ihdcoa fa6coa,Iso-C16:0 CoA Isohexadecanoyl-CoA C37H62N7O17P3S -4 02/07/2014 Cell wall biosynthesis ihpdcoa fa11coa, Iso-C17:0 CoA Isoheptadecanoyl-CoA C38H64N7O17P3S -4 02/07/2014 Fatty acid synthesis ihxdcardlip_Bsub Isohexadecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 ihxnlgcoa Isohexenyl-glutaconyl-CoA C32H46N7O19P3S -4 19/09/2018 Geraniol degradation ile_L L-isoleucine C6H13NO2 0 C00407 6306 17191 AGPKZVBTJJNPAG-WHFBIAKZSA-N HMDB00172 02/07/2014 Miscellaneous ileargile Isoleucyl-Arginyl-Isoleucine C18H37N6O4 1 ATXGFMOBVKSOMK-PNKMZZHYSA-O 03/01/2017 Peptide metabolism ileasnhis Isoleucyl-Asparaginyl-Histidine C16H26N6O5 0 IIXDMJNYALIKGP-DUQDJFPFSA-N 03/01/2017 Peptide metabolism ileasp Isolecyl-Aspartate C10H17N2O5 -1 WKXVAXOSIPTXEC-KVWYPCGYSA-M 03/01/2017 Peptide metabolism ileglnglu Isolecyl-Glutaminyl-Glutamate C16H27N4O7 -1 HOLOYAZCIHDQNS-XKNZDDLCSA-M 03/01/2017 Peptide metabolism ileglyarg Isolecyl-Glycyl-Arginine C14H29N6O4 1 NHJKZMDIMMTVCK-PCFYAGROSA-O 03/01/2017 Peptide metabolism ileprolys Isolecyl-Prolyl-Lysine C17H33N4O4 1 NLZVTPYXYXMCIP-LNIMBWABSA-O 03/01/2017 Peptide metabolism ileserarg Isolecyl-Seryl-Arginine C15H31N6O5 1 JHNJNTMTZHEDLJ-GYIHNLGQSA-O 03/01/2017 Peptide metabolism iletrna L-Isoleucyl-tRNA(Ile) C6H12NOR 1 02/07/2014 tRNA Charging iletrptyr Isolecyl-Tryptophanyl-Tyrosine C26H32N4O5 0 MITYXXNZSZLHGG-HCZSUOBMSA-N 03/01/2017 Peptide metabolism ilprpl Isosalipurpol C15H12O5 0 19/09/2018 Xenobiotics metabolism ilqrtgn Isoliquiritigenin C15H12O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism im4ac imidazol-4-ylacetate C5H5N2O2 -1 C02835 96215 16974 PRJKNHOMHKJCEJ-UHFFFAOYSA-M HMDB02024 02/07/2014 Histidine metabolism im4act imidazole-4-acetaldehyde C5H6N2O 0 C05130 150841 27398 MQSRGWNVEZRLDK-UHFFFAOYSA-N HMDB03905 02/07/2014 Histidine metabolism imacp 3-(Imidazol-4-yl)-2-oxopropyl phosphate C6H7N2O5P -2 HMDB0012236 02/07/2014 Histidine metabolism imidznact Imidazolone acetate C5H5N2O3 -1 19/09/2018 Xenobiotics metabolism imlac imidazole_lactate X 0 02/07/2014 imn Indomethacin C19H16ClNO4 C19H15ClNO4 -1 C01926 3715 01/03/2019 Drug metabolism imn_glc Indomethacin Glucuronide C25H24ClNO10 C25H23ClNO10 -1 70691027 01/03/2019 Drug metabolism imogly Iminoglycine C2H3NO2 C2H3NO2 0 C15809 47205134 53647 OC(=O)C=N 02/07/2014 Thiamine metabolism imp IMP C10H11N4O8P -2 C00130 8582 17202 GRSZFWQUAKGDAV-KQYNXXCUSA-L HMDB00175 02/07/2014 Nucleotide interconversion impyr Imidazole_pyruvate X 0 02/07/2014 imzac 4-Imidazoleacetate C5H6N2O2 C5H5N2O2 -1 02/07/2014 in3amino Indole-3-acetyl-myo-inositol C16H19NO7 0 19/09/2018 Inositol phosphate metabolism ind3ac indole-3-acetate C10H8NO2 -1 C00954 802 16411 SEOVTRFCIGRIMH-UHFFFAOYSA-M HMDB00197 02/07/2014 Histidine metabolism ind3acam Indole-3-acetamide C10H10N2O C10H10N2O 0 HMDB0029739 02/07/2014 Histidine metabolism ind3ppa Indole-3-propionate C11H10NO2 -1 3292996 HMDB02302 02/07/2014 Tryptophan metabolism ind56qn Indole-5,6-Quinone C8H5NO2 0 IGGVVGHJSQSLFO-UHFFFAOYSA-N 03/01/2017 Tyrosine metabolism indaccoa S-2-(indol-3-yl)acetyl-CoA C31H39N8O17P3S -4 02/07/2014 Tryptophan metabolism indacrcoa Indoleacrylyl-CoA C32H43N8O17P3S C32H39N8O17P3S -4 20/12/2017 Tryptophan metabolism indlac Indolelactate C11H11NO3 C11H10NO3 -1 C02043 02/07/2014 Tryptophan metabolism indlaccoa Indolelactyl-CoA C32H45N8O18P3S C32H41N8O18P3S -4 20/12/2017 Tryptophan metabolism indole Indole C8H7N 0 C00463 798 SIKJAQJRHWYJAI-UHFFFAOYSA-N HMDB00738 02/07/2014 Miscellaneous indoxyl Indoxyl C8H7NO C8H6NO -1 C05658 CHEBI:17840 PCKPVGOLPKLUHR-UHFFFAOYSA-M HMDB04094 12/01/2015 Miscellaneous indprp Indolepropionate C11H11NO2 C11H10NO2 -1 20/12/2017 indprpcoa Indolepropionyl-CoA C32H45N8O17P3S C32H41N8O17P3S -4 20/12/2017 Tryptophan metabolism indpyr Indolepyruvate C11H8NO3 -1 HMDB0060484 02/07/2014 Tryptophan metabolism inds Indoxyl sulfate C8H7NO4S C8H6NO4S -1 CHEBI:43355 BXFFHSIDQOFMLE-UHFFFAOYSA-M HMDB03309 12/01/2015 Miscellaneous inoshp Myo-inositol hexakisphosphate (iYO844,iSO783) C6H12O24P6 -6 C01204 HMDB03502 08/03/2016 Inositol phosphate metabolism inost myo-inositol C6H12O6 0 C00137 892 17268 CDAISMWEOUEBRE-GPIVLXJGSA-N HMDB00211 02/07/2014 Glycerophospholipid metabolism ins Inosine C10H12N4O5 0 C00294 6021 17596 UGQMRVRMYYASKQ-KQYNXXCUSA-N HMDB00195 02/07/2014 Nucleotide interconversion inulin Chicory inulin C180H302O151 0 C03323 24763 JYJIGFIDKWBXDU-UHFFFAOYSA-N HMDB0014776 02/07/2014 Plant polysaccharide degradation inv Indinavir C36H47N5O4 C36H47N5O4 0 C07051 5362440 01/03/2019 Drug metabolism inv_m1 Indanyl Glucuronide M1 C42H55N5O10 C42H55N5O10 0 01/03/2019 Drug metabolism iodine Iodine I2 0 C01382 807 17606 PNDPGZBMCMUPRI-UHFFFAOYSA-N HMDB00675 02/07/2014 Tyrosine metabolism ipadsn5dp Isopnetenyladenosine-5-diphosphate C15H21N5O10P2 -2 19/09/2018 Zeatin biosynthesis ipadsn5tp Isopentenyladenosine-5-triphosphate C15H21N5O13P3 -3 19/09/2018 Zeatin biosynthesis ipdcardlip_Bsub Isopentadecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 ipdcoa fa3coa,Iso-C15:0 CoA Isopentadecanoyl-CoA C36H60N7O17P3S -4 02/07/2014 Fatty acid synthesis ipdp Isopentenyl diphosphate C5H9O7P2 -3 C00129 1195 16584 NUHSROFQTUXZQQ-UHFFFAOYSA-K HMDB01347 02/07/2014 Cell wall biosynthesis ipntnlamp Isopentenyl-AMP C15H21N5O7P -1 19/09/2018 Zeatin biosynthesis ipptn Isopiperitenone C10H14O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ipv isoprimeverose X 0 02/07/2014 iscsh HS-[IscS protein] RSH RSH 0 C15811 12/07/2018 Thiamine metabolism iscssh S-sulfanylcysteine-[IscS protein] HS2R S2R -1 C15812 12/07/2018 Thiamine metabolism isetac Isethionic acid C2H5O4S -1 HMDB03903 02/07/2014 Respiration isncrdna Isonocardicin A C23H23N4O9 -1 19/09/2018 Xenobiotics metabolism isnzd Isoniazid C6H7N3O C6H7N3O 0 C07054 3767 01/03/2019 Drug metabolism isobut Isobutyrate, 2-Methylpropanoate C4H8O2 C4H7O2 -1 C02632 6590 KQNPFQTWMSNSAP-UHFFFAOYSA-N HMDB01873 02/07/2014 Fatty acid synthesis isocapr Isocaproate C6H12O2 C6H11O2 -1 12587 HMDB00689 02/07/2014 Valine, leucine, and isoleucine metabolism isocaprcoa Isocaproyl-CoA C27H46N7O17P3S C27H42N7O17P3S -4 C21400 20/12/2017 Valine, leucine, and isoleucine metabolism isochol Isocholate C24H40O5 C24H39O5 -1 C17660 164673 HMDB00361 22/12/2016 Bile acid metabolism isolvstacid 3-hydroxy-iso-delta-4,5-hydroxy acid form of lovastatin C24H38O7 C24H37O7 -1 02/07/2014 Drug metabolism isomal Isomaltose, Brachiose C12H22O11 C12H22O11 0 C00252 439193 DLRVVLDZNNYCBX-RTPHMHGBSA-N HMDB02923 02/07/2014 Miscellaneous isopen Isopenicillin N C14H20N3O6S -1 19/09/2018 Xenobiotics metabolism isosorbide_5mn Isosorbide 5-Mononitrate C6H9NO6 C6H9NO6 0 C07714 27661 01/03/2019 Drug metabolism isosorbide_5mn_glc Isosorbide 5-Mononitrate 2-Beta-D-Glucuronide C12H17NO12 C12H16NO12 -1 46782003 01/03/2019 Drug metabolism isoval Isovalerate, 3-Methylbutanoate C5H10O2 C5H9O2 -1 C08262 10430 GWYFCOCPABKNJV-UHFFFAOYSA-N HMDB00718 02/07/2014 Fatty acid synthesis ispre Isoprene C5H8 C5H8 0 C16521 6557 02/07/2014 Terpenoid backbone biosynthesis itaccoa itaconyl-CoA(5-) C26H35N7O19P3S -5 C00531 439254 15528 NFVGYLGSSJPRKW-CITAKDKDSA-I HMDB03377 02/07/2014 C5-branched dibasic acid metabolism itacon itaconate(2-) C5H4O4 -2 C00490 811 30838 LVHBHZANLOWSRM-UHFFFAOYSA-L HMDB02092 02/07/2014 C5-branched dibasic acid metabolism itdcardlip_Bsub Isotetradecanoylcardiolipin (B. subtilis) X X 0 30/09/2014 itdcoa fa1coa,Iso-C14:0 CoA Isotetradecanoyl-CoA C35H58N7O17P3S -4 02/07/2014 Fatty acid synthesis itfln Isotrifoliin C21H20O12 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism itp ITP(3-) C10H11N4O14P3 -4 C00081 8583 16039 HAEJPQIATWHALX-KQYNXXCUSA-J HMDB00189 02/07/2014 Aminosugar metabolism iv_p isovaleryl_phosphate C9H9INO3 0 02/07/2014 ivcoa Isovaleryl-CoA C26H40N7O17P3S -4 C02939 439855 57345 UYVZIWWBJMYRCD-VZEICDQOSA-J HMDB01113 02/07/2014 Fatty acid oxidation ivcrn isovaleryl carnitine C12H23NO4 0 6426851 IGQBPDJNUXPEMT-UHFFFAOYSA-N HMDB00688 02/07/2014 Fatty acid oxidation ivitxn Isovitexin C21H20O10 C21H19O10 -1 C01714 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism ivitxn2oglc Isovitexin 2-O-beta-D-glucoside C27H30O15 C27H29O15 -1 C04199 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism jh3 Juvenile hormone III C16H26O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism jh3acd Juvenile hormone III acid C15H23O3 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism k potassium K 1 C00238 813 29103 NPYPAHLBTDXSSS-UHFFFAOYSA-N HMDB00586 02/07/2014 Drug metabolism kdn 2-keto-3-deoxy-D-glycero-D-galactononic acid C9H15O9 -1 22833524 FQHUAUMYHAJTDH-IMSDGWMTSA-M HMDB00425 02/07/2014 Aminosugar metabolism kdnp 2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate C9H14O12P -3 ONDNEVXIOCSZAT-IMSDGWMTSA-K 02/07/2014 Aminosugar metabolism kdo 3-Deoxy-D-manno-2-octulosonate C8H13O8 -1 02/07/2014 Lipopolysaccharide biosynthesis kdo2lipid4 KDO(2)-lipid IV(A) C84H148N2O37P2 -6 02/07/2014 Lipopolysaccharide biosynthesis kdo2lipid4L KDO(2)-lipid IV(A) with laurate C96H170N2O38P2 -6 02/07/2014 Lipopolysaccharide biosynthesis kdo2lipid4p KDO(2)-lipid IV(A) with palmitoleoyl C100H176N2O38P2 -6 02/07/2014 Lipopolysaccharide biosynthesis kdo8p 3-Deoxy-D-manno-octulosonate 8-phosphate C8H12O11P -3 02/07/2014 Lipopolysaccharide biosynthesis kdolipid4 KDO-lipid IV(A) C76H137N2O30P2 -5 02/07/2014 Lipopolysaccharide biosynthesis kdolipid4_bt KDO-lipid IV(A)_BT C88H160N2O29P2 -5 02/07/2014 Lipopolysaccharide biosynthesis kdolipid4_HP KDO-lipid IV(A)_HP C90H166N2O26P -3 17/07/2015 Lipopolysaccharide biosynthesis kdolipid4L_bt KDO-lipid IV(A)_BT C100H182N2O30P2 -5 02/07/2014 Lipopolysaccharide biosynthesis kdr 2-keto-3-deoxy-L-rhamnonate (KDR) C6H10O5 0 02/07/2014 kesto Kestose (2 fru, 1 glc inulin-type fructo-oligosaccharide) C18H32O16 0 02/07/2014 Drug metabolism kestopt Kestopentaose (4 fru, 1 glc inulin-type fructo-oligosaccharide) C30H52O26 0 02/07/2014 Drug metabolism kestottr Kestotetraose (3 fru, 1 glc inulin-type fructo-oligosaccharide) C24H42O21 0 02/07/2014 Drug metabolism knmcn Kanamycin A C18H40N4O11 4 19/09/2018 Xenobiotics metabolism knmcn3p Kanamycin 3-phosphate C18H39N4O14P C18H40N4O14P 3 19/09/2018 Xenobiotics metabolism kphphhlipa kdo-phospho-heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA C139H241N2O70P4 -11 02/07/2014 Lipopolysaccharide biosynthesis kprofen Ketoprofen (2-(3-Benzoylphenyl)Propionic Acid) C16H14O3 C16H13O3 -1 C01716 3825 01/03/2019 Drug metabolism kprofen_glc Ketoprofen Glucuronide C22H22O9 C22H21O9 -1 131281 01/03/2019 Drug metabolism ksgn Kreysigine C22H27NO5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ksi keratan sulfate I C247H393N17O213S12X -13 C00573 446715 KXCLCNHUUKTANI-RBIYJLQWSA-N HMDB01165 02/07/2014 Keratan sulfate degradation ksi_deg1 keratan sulfate I, degradation product 1 C241H383N17O209S12X -13 02/07/2014 Keratan sulfate degradation ksi_deg10 keratan sulfate I, degradation product 10 C188H302N13O163S9 -9 02/07/2014 Keratan sulfate degradation ksi_deg11 keratan sulfate I, degradation product 11 C180H289N12O158S9 -9 02/07/2014 Keratan sulfate degradation ksi_deg12 keratan sulfate I, degradation product 12 C174H279N12O153S9 -9 02/07/2014 Keratan sulfate degradation ksi_deg13 keratan sulfate I, degradation product 13 C174H280N12O150S8 -8 02/07/2014 Keratan sulfate degradation ksi_deg14 keratan sulfate I, degradation product 14 C166H267N11O145S8 -8 02/07/2014 Keratan sulfate degradation ksi_deg15 keratan sulfate I, degradation product 15 C160H257N11O140S8 -8 02/07/2014 Keratan sulfate degradation ksi_deg16 keratan sulfate I, degradation product 16 C160H258N11O137S7 -7 02/07/2014 Keratan sulfate degradation ksi_deg17 keratan sulfate I, degradation product 17 C152H245N10O132S7 -7 02/07/2014 Keratan sulfate degradation ksi_deg18 keratan sulfate I, degradation product 18 C146H235N10O127S7 -7 02/07/2014 Keratan sulfate degradation ksi_deg19 keratan sulfate I, degradation product 19 C146H236N10O124S6 -6 02/07/2014 Keratan sulfate degradation ksi_deg2 keratan sulfate I, degradation product 2 C241H384N17O210S12 -13 02/07/2014 Keratan sulfate degradation ksi_deg20 keratan sulfate I, degradation product 20 C138H223N9O119S6 -6 02/07/2014 Keratan sulfate degradation ksi_deg21 keratan sulfate I, degradation product 21 C132H213N9O114S6 -6 02/07/2014 Keratan sulfate degradation ksi_deg22 keratan sulfate I, degradation product 22 C132H214N9O111S5 -5 02/07/2014 Keratan sulfate degradation ksi_deg23 keratan sulfate I, degradation product 23 C124H201N8O106S5 -5 02/07/2014 Keratan sulfate degradation ksi_deg24 keratan sulfate I, degradation product 24 C118H191N8O101S5 -5 02/07/2014 Keratan sulfate degradation ksi_deg25 keratan sulfate I, degradation product 25 C118H192N8O98S4 -4 02/07/2014 Keratan sulfate degradation ksi_deg26 keratan sulfate I, degradation product 26 C110H179N7O93S4 -4 02/07/2014 Keratan sulfate degradation ksi_deg27 keratan sulfate I, degradation product 27 C104H169N7O88S4 -4 02/07/2014 Keratan sulfate degradation ksi_deg28 keratan sulfate I, degradation product 28 C104H170N7O85S3 -3 02/07/2014 Keratan sulfate degradation ksi_deg29 keratan sulfate I, degradation product 29 C96H157N6O80S3 -3 02/07/2014 Keratan sulfate degradation ksi_deg3 keratan sulfate I, degradation product 3 C233H371N16O205S12 -13 02/07/2014 Keratan sulfate degradation ksi_deg30 keratan sulfate I, degradation product 30 C90H147N6O75S3 -3 02/07/2014 Keratan sulfate degradation ksi_deg31 keratan sulfate I, degradation product 31 C90H148N6O72S2 -2 02/07/2014 Keratan sulfate degradation ksi_deg32 keratan sulfate I, degradation product 32 C82H135N5O67S2 -2 02/07/2014 Keratan sulfate degradation ksi_deg33 keratan sulfate I, degradation product 33 C76H125N5O62S2 -2 02/07/2014 Keratan sulfate degradation ksi_deg34 keratan sulfate I, degradation product 34 C76H126N5O59S1 -1 02/07/2014 Keratan sulfate degradation ksi_deg35 keratan sulfate I, degradation product 35 C68H113N4O54S1 -1 02/07/2014 Keratan sulfate degradation ksi_deg36 keratan sulfate I, degradation product 36 C62H103N4O49S1 -1 02/07/2014 Keratan sulfate degradation ksi_deg37 keratan sulfate I, degradation product 37 C62H104N4O46 0 02/07/2014 Keratan sulfate degradation ksi_deg38 keratan sulfate I, degradation product 38 C54H91N3O41 0 02/07/2014 Keratan sulfate degradation ksi_deg39 keratan sulfate I, degradation product 39 C48H81N3O36 0 02/07/2014 Keratan sulfate degradation ksi_deg4 keratan sulfate I, degradation product 4 C222H355N15O197S12 -12 02/07/2014 Keratan sulfate degradation ksi_deg40 keratan sulfate I, degradation product 40 C40H68N2O31 0 02/07/2014 Keratan sulfate degradation ksi_deg41 keratan sulfate I, degradation product 41 C34H58N2O26 0 02/07/2014 Keratan sulfate degradation ksi_deg5 keratan sulfate I, degradation product 5 C222H356N15O194S11 -11 02/07/2014 Keratan sulfate degradation ksi_deg6 keratan sulfate I, degradation product 6 C210H336N15O184S11 -11 02/07/2014 Keratan sulfate degradation ksi_deg7 keratan sulfate I, degradation product 7 C210H337N15O181S10 -10 02/07/2014 Keratan sulfate degradation ksi_deg8 keratan sulfate I, degradation product 8 C194H311N13O171S10 -10 02/07/2014 Keratan sulfate degradation ksi_deg9 keratan sulfate I, degradation product 9 C188H301N13O166S10 -10 02/07/2014 Keratan sulfate degradation ksi_pre1 keratan sulfate I biosynthesis, precursor 1 C79H129N5O57X -1 02/07/2014 Keratan sulfate synthesis ksi_pre10 keratan sulfate I biosynthesis, precursor 10 C129H209N9O98S2X -3 02/07/2014 Keratan sulfate synthesis ksi_pre11 keratan sulfate I biosynthesis, precursor 11 C129H208N9O101S3X -4 02/07/2014 Keratan sulfate synthesis ksi_pre12 keratan sulfate I biosynthesis, precursor 12 C135H218N9O106S3X -4 02/07/2014 Keratan sulfate synthesis ksi_pre13 keratan sulfate I biosynthesis, precursor 13 C143H231N10O111S3X -4 02/07/2014 Keratan sulfate synthesis ksi_pre14 keratan sulfate I biosynthesis, precursor 14 C143H230N10O114S4X -5 02/07/2014 Keratan sulfate synthesis ksi_pre15 keratan sulfate I biosynthesis, precursor 15 C149H240N10O119S4X -5 02/07/2014 Keratan sulfate synthesis ksi_pre16 keratan sulfate I biosynthesis, precursor 16 C157H253N11O124S4X -5 02/07/2014 Keratan sulfate synthesis ksi_pre17 keratan sulfate I biosynthesis, precursor 17 C157H252N11O127S5X -6 02/07/2014 Keratan sulfate synthesis ksi_pre18 keratan sulfate I biosynthesis, precursor 18 C163H262N11O132S5X -6 02/07/2014 Keratan sulfate synthesis ksi_pre19 keratan sulfate I biosynthesis, precursor 19 C171H275N12O137S5X -6 02/07/2014 Keratan sulfate synthesis ksi_pre2 keratan sulfate I biosynthesis, precursor 2 C87H142N6O62X -1 02/07/2014 Keratan sulfate synthesis ksi_pre20 keratan sulfate I biosynthesis, precursor 20 C171H274N12O140S6X -7 02/07/2014 Keratan sulfate synthesis ksi_pre21 keratan sulfate I biosynthesis, precursor 21 C177H284N12O145S6X -7 02/07/2014 Keratan sulfate synthesis ksi_pre22 keratan sulfate I biosynthesis, precursor 22 C185H297N13O150S6X -7 02/07/2014 Keratan sulfate synthesis ksi_pre23 keratan sulfate I biosynthesis, precursor 23 C185H296N13O153S7X -8 02/07/2014 Keratan sulfate synthesis ksi_pre24 keratan sulfate I biosynthesis, precursor 24 C191H306N13O158S7X -8 02/07/2014 Keratan sulfate synthesis ksi_pre25 keratan sulfate I biosynthesis, precursor 25 C199H319N14O163S7X -8 02/07/2014 Keratan sulfate synthesis ksi_pre26 keratan sulfate I biosynthesis, precursor 26 C199H318N14O166S8X -9 02/07/2014 Keratan sulfate synthesis ksi_pre27 keratan sulfate I biosynthesis, precursor 27 C205H328N14O171S8X -9 02/07/2014 Keratan sulfate synthesis ksi_pre28 keratan sulfate I biosynthesis, precursor 28 C213H341N15O176S8X -9 02/07/2014 Keratan sulfate synthesis ksi_pre29 keratan sulfate I biosynthesis, precursor 29 C213H340N15O179S9X -10 02/07/2014 Keratan sulfate synthesis ksi_pre3 keratan sulfate I biosynthesis, precursor 3 C93H152N6O67X -1 02/07/2014 Keratan sulfate synthesis ksi_pre30 keratan sulfate I biosynthesis, precursor 30 C219H350N15O184S9X -10 02/07/2014 Keratan sulfate synthesis ksi_pre31 keratan sulfate I biosynthesis, precursor 31 C227H363N16O189S9X -10 02/07/2014 Keratan sulfate synthesis ksi_pre32 keratan sulfate I biosynthesis, precursor 32 C227H362N16O192S10X -11 02/07/2014 Keratan sulfate synthesis ksi_pre33 keratan sulfate I biosynthesis, precursor 33 C233H372N16O197S10X -11 02/07/2014 Keratan sulfate synthesis ksi_pre34 keratan sulfate I biosynthesis, precursor 34 C241H385N17O202S10X -11 02/07/2014 Keratan sulfate synthesis ksi_pre35 keratan sulfate I biosynthesis, precursor 35 C241H384N17O205S11X -12 02/07/2014 Keratan sulfate synthesis ksi_pre36 keratan sulfate I biosynthesis, precursor 36 C247H394N17O210S11X -12 02/07/2014 Keratan sulfate synthesis ksi_pre4 keratan sulfate I biosynthesis, precursor 4 C101H165N7O72X -1 02/07/2014 Keratan sulfate synthesis ksi_pre5 keratan sulfate I biosynthesis, precursor 5 C101H164N7O75SX -2 02/07/2014 Keratan sulfate synthesis ksi_pre6 keratan sulfate I biosynthesis, precursor 6 C107H174N7O80SX -2 02/07/2014 Keratan sulfate synthesis ksi_pre7 keratan sulfate I biosynthesis, precursor 7 C115H187N8O85SX -2 02/07/2014 Keratan sulfate synthesis ksi_pre8 keratan sulfate I biosynthesis, precursor 8 C115H186N8O88S2X -3 02/07/2014 Keratan sulfate synthesis ksi_pre9 keratan sulfate I biosynthesis, precursor 9 C121H196N8O93S2X -3 02/07/2014 Keratan sulfate synthesis ksii_core2 keratan sulfate II (core 2-linked) C81H129N6O67S3X -4 02/07/2014 Keratan sulfate degradation ksii_core2_deg1 keratan sulfate II (core 2-linked), degradation product 1 C70H113N5O59S3X -3 02/07/2014 Keratan sulfate degradation ksii_core2_deg2 keratan sulfate II (core 2-linked), degradation product 2 C70H114N5O56S2X -2 02/07/2014 Keratan sulfate degradation ksii_core2_deg3 keratan sulfate II (core 2-linked), degradation product 3 C58H94N5O46S2X -2 02/07/2014 Keratan sulfate degradation ksii_core2_deg4 keratan sulfate II (core 2-linked), degradation product 4 C58H95N5O43SX -1 02/07/2014 Keratan sulfate degradation ksii_core2_deg5 keratan sulfate II (core 2-linked), degradation product 5 C50H82N4O38SX -1 02/07/2014 Keratan sulfate degradation ksii_core2_deg6 keratan sulfate II (core 2-linked), degradation product 6 C44H72N4O33SX -1 02/07/2014 Keratan sulfate degradation ksii_core2_deg7 keratan sulfate II (core 2-linked), degradation product 7 C44H73N4O30X 0 02/07/2014 Keratan sulfate degradation ksii_core2_deg8 keratan sulfate II (core 2-linked), degradation product 8 C36H60N3O25X 0 02/07/2014 Keratan sulfate degradation ksii_core2_deg9 keratan sulfate II (core 2-linked), degradation product 9 C30H50N3O20X 0 02/07/2014 Keratan sulfate degradation ksii_core2_pre1 keratan sulfate II biosynthesis, precursor 1 C33H53N3O23X -1 02/07/2014 Keratan sulfate synthesis ksii_core2_pre10 keratan sulfate II biosynthesis, precursor 10 C81H130N6O64S2X -3 02/07/2014 Keratan sulfate synthesis ksii_core2_pre2 keratan sulfate II biosynthesis, precursor 2 C39H63N3O28X -1 02/07/2014 Keratan sulfate synthesis ksii_core2_pre3 keratan sulfate II biosynthesis, precursor 3 C47H76N4O33X -1 02/07/2014 Keratan sulfate synthesis ksii_core2_pre4 keratan sulfate II biosynthesis, precursor 4 C53H86N4O38X -1 02/07/2014 Keratan sulfate synthesis ksii_core2_pre5 keratan sulfate II biosynthesis, precursor 5 C61H99N5O43X -1 02/07/2014 Keratan sulfate synthesis ksii_core2_pre6 keratan sulfate II biosynthesis, precursor 6 C61H98N5O46SX -2 02/07/2014 Keratan sulfate synthesis ksii_core2_pre7 keratan sulfate II biosynthesis, precursor 7 C67H108N5O51SX -2 02/07/2014 Keratan sulfate synthesis ksii_core2_pre8 keratan sulfate II biosynthesis, precursor 8 C75H121N6O56SX -2 02/07/2014 Keratan sulfate synthesis ksii_core2_pre9 keratan sulfate II biosynthesis, precursor 9 C75H120N6O59S2X -3 02/07/2014 Keratan sulfate synthesis ksii_core4 keratan sulfate II (core 4-linked) C89H142N7O72S3X -4 02/07/2014 Keratan sulfate degradation ksii_core4_deg1 keratan sulfate II (core 4-linked), degradation product 1 C78H126N6O64S3X -3 02/07/2014 Keratan sulfate degradation ksii_core4_deg2 keratan sulfate II (core 4-linked), degradation product 2 C78H127N6O61S2X -2 02/07/2014 Keratan sulfate degradation ksii_core4_deg3 keratan sulfate II (core 4-linked), degradation product 3 C66H107N6O51S2X -2 02/07/2014 Keratan sulfate degradation ksii_core4_deg4 keratan sulfate II (core 4-linked), degradation product 4 C66H108N6O48SX -1 02/07/2014 Keratan sulfate degradation ksii_core4_pre1 keratan sulfate II biosynthesis, precursor 1 C36H60N3O25X 0 02/07/2014 Keratan sulfate synthesis ksii_core4_pre10 keratan sulfate II biosynthesis, precursor 10 C89H143N7O69S2X -3 02/07/2014 Keratan sulfate synthesis ksii_core4_pre2 keratan sulfate II boisynthesis, precursor 2 C47H76N4O33X -1 02/07/2014 Keratan sulfate synthesis ksii_core4_pre3 keratan sulfate II biosynthesis, precursor 3 C55H89N5O38X -1 02/07/2014 Keratan sulfate synthesis ksii_core4_pre4 keratan sulfate II biosynthesis, precursor 4 C61H99N5O43X -1 02/07/2014 Keratan sulfate synthesis ksii_core4_pre5 keratan sulfate II biosynthesis, precursor 5 C69H112N6O48X -1 02/07/2014 Keratan sulfate synthesis ksii_core4_pre6 keratan sulfate II biosynthesis, precursor 6 C69H111N6O51SX -2 02/07/2014 Keratan sulfate synthesis ksii_core4_pre7 keratan sulfate II biosynthesis, precursor 7 C75H121N6O56SX -2 02/07/2014 Keratan sulfate synthesis ksii_core4_pre8 keratan sulfate II biosynthesis, precursor 8 C83H134N7O61SX -2 02/07/2014 Keratan sulfate synthesis ksii_core4_pre9 keratan sulfate II biosynthesis, precursor 9 C83H133N7O64S2X -3 02/07/2014 Keratan sulfate synthesis ksmn6p Kanosamine 6-phosphate C6H14NO8P 0 19/09/2018 Glycolysis/gluconeogenesis ktn Ketone COR2 0 19/09/2018 Miscellaneous kvtn Kievitone C20H20O6 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism kvtnh Kievitone hydrate C20H22O7 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism kynate kynurenate C10H6NO3 -1 C01717 3845 18344 HCZHHEIFKROPDY-UHFFFAOYSA-M HMDB00715 02/07/2014 Tryptophan metabolism L_dpchrm L-dopachromate C9H6NO4 -1 C01693 439549 15772 VJNCICVKUHKIIV-LURJTMIESA-M HMDB01430 02/07/2014 Tyrosine metabolism l2a6o L-2-Amino-6-oxopimelate C7H10NO5 -1 02/07/2014 Folate metabolism l2aadipad L-2-Aminoadipate adenylate C16H22N6O10P -1 C05560 HMDB06941 08/03/2016 Lysine metabolism L2aadp L-2-aminoadipate(1-) C6H10NO4 -1 C00956 469 37023 OYIFNHCXNCRBQI-BYPYZUCNSA-M HMDB00510 02/07/2014 Lysine metabolism L2aadp6sa L-allysine C6H11NO3 0 C01475 207 17917 GFXYTQPNNXGICT-YFKPBYRVSA-N HMDB01263 02/07/2014 Lysine metabolism l2amna L-2-Amino acid C2H3NO2R -1 19/09/2018 Arginine and proline metabolism l2fn2m2masn {[galactosyl-(1,4)-N-Acetyl-glucosaminyl-(1,2)-mannosyl-(1,3)-],[N-acetyl-glucosaminyl-(1,2)-mannosyl-(1,6)-]mannosyl-(1,4)-N-ac... C68H113N4O49X 0 G00017 02/07/2014 Keratan sulfate synthesis l2n2m2mn de-Fuc, reducing GlcNAc removed, de-Sia form of PA6 (w/o peptide linkage) C54H91N3O41 0 02/07/2014 N-glycan degradation l2xser (Gal)2-Xyl-L-Ser (protein) C17H29O14X 0 C04825 02/07/2014 Chondroitin synthesis lac_D D-lactate C3H5O3 -1 C00256 61503 42111 JVTAAEKCZFNVCJ-REOHCLBHSA-M HMDB01311 02/07/2014 Cell wall biosynthesis lac_L L-lactate C3H5O3 -1 C00186 107689 422 JVTAAEKCZFNVCJ-REOHCLBHSA-M HMDB00190 02/07/2014 Cell wall biosynthesis lac6p Lactose 6-phosphate C12H23O14P C12H21O14P -2 C05396 440654 79080 ITPHOIFCAFNCLL-QKKXKWKRSA-N C(C1C(C(C(C(O1)O)O)O)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O HMDB06789 16/07/2014 Galactose metabolism laccoa Lactoyl-CoA C24H40N7O18P3S C24H36N7O18P3S -4 C00827 3081970 VIWKEBOLLIEAIL-FBMOWMAESA-N HMDB02346 24/02/2015 Propanoate metabolism lacdfucttr Lactodifucotetraose (HMO, PMID:11425797) C24H42O19 C24H42O19 0 G00335 02/07/2014 lacndfuchx Lacto-N-difucohexaose (HMO, PMID:11425797) C38H65NO29 C38H65NO29 0 G00891 02/07/2014 lacnfucpt Lacto-N-fucopentaose (HMO, PMID:11425797) C32H55NO25 C32H55NO25 0 G00557 02/07/2014 lacnnttr Lacto-N-neotetraose (HMO, PMID:11425797) C26H45NO21 C26H45NO21 0 G00536 02/07/2014 lacnttr Lacto-N-tetraose (HMO, PMID:11425797) C26H45NO21 C26H45NO21 0 C06371 02/07/2014 lactl Lactulose C12H22O11 C12H22O11 0 C07064 01/03/2019 Drug metabolism LalaDglu L-alanine-D-glutamate C8H13N2O5 -1 02/07/2014 Cell wall biosynthesis LalaDgluMdap L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate C15H25N4O8 -1 02/07/2014 Cell wall biosynthesis LalaDgluMdapDala L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine C18H30N5O9 -1 02/07/2014 Cell wall biosynthesis LalaLglu L-alanine-L-glutamate C8H13N2O5 -1 02/07/2014 Cell wall biosynthesis lald Lactaldehyde C3H6O2 C3H6O2 0 02/07/2014 lald_D (R)-lactaldehyde C3H6O2 0 C00937 439350 17167 BSABBBMNWQWLLU-GSVOUGTGSA-N HMDB06458 02/07/2014 Pentose and glucuronate interconversions lald_L (S)-lactaldehyde C3H6O2 0 C00424 439231 18041 BSABBBMNWQWLLU-VKHMYHEASA-N HMDB03052 02/07/2014 Fructose and mannose metabolism lanost lanosterol C30H50O 0 C01724 246983 16521 CAHGCLMLTWQZNJ-BQNIITSRSA-N HMDB01251 02/07/2014 Cholesterol metabolism Largn L-Arogenate C10H13NO5 C10H12NO5 -1 C00826 17530 N[C@@H](CC1(C=CC(O)C=C1)C(O)=O)C(O)=O 02/07/2014 Phenylalanine metabolism lasptlhmt L-Aspartylhydroxamate C4H8N2O4 0 19/09/2018 Alanine and aspartate metabolism lca24g Lithocholic acid-24glucuronide, CDCA-24G C30H47O9 -1 03/01/2017 Bile acid synthesis lca3g Lithocholic acid-3glucuronide, CDCA-3G C30H47O9 -1 03/01/2017 Bile acid synthesis lca3s Lithocholic acid 3-sulfate C24H38O6S -2 03/01/2017 Bile acid synthesis lcaldh Long-chain aldehyde C3H5OR 0 19/09/2018 Miscellaneous lcdn Licodione C15H12O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism lchnc Long-chain carboxylate C3H4O2R -1 19/09/2018 Miscellaneous lchng Leachianone G C20H20O6 0 19/09/2018 Terpenoid backbone biosynthesis lcpn Lycopene C40H56 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism lctnb Lacto-N-biose C14H25NO11 C14H25NO11 0 C06372 29/03/2017 lctnbp Lacto-N-biose phosphate C14H26NO14P C14H24NO14P -2 29/03/2017 lcts Lactose C12H22O11 0 C00243 84571 17716 GUBGYTABKSRVRQ-QKKXKWKRSA-N HMDB00186 02/07/2014 Galactose metabolism Lcyst L-cysteate(1-) C3H6NO5S -1 C00506 25701 17285 XVOYSCVBGLVSOL-REOHCLBHSA-M HMDB02757 02/07/2014 Methionine and cysteine metabolism Lcystin L-cystine C6H12N2O4S2 0 C00491 67678 16283 LEVWYRKDKASIDU-IMJSIDKUSA-N HMDB00192 02/07/2014 Methionine and cysteine metabolism ldambtnt L-2,4-Diaminobutanoate C4H11N2O2 1 19/09/2018 Glycine, serine, alanine, and threonine metabolism ldl_hs Low Density Lipoprotein X 0 03/01/2017 Glycerophospholipid metabolism leu_L L-leucine C6H13NO2 0 C00123 6106 15603 ROHFNLRQFUQHCH-YFKPBYRVSA-N HMDB00687 02/07/2014 Glycerophospholipid metabolism leualaarg Leucyl-Alanyl-Arginine C15H31N6O4 1 LJHGALIOHLRRQN-HBNTYKKESA-O 03/01/2017 Peptide metabolism leuasnasp Leucyl-Asparaginyl-Aspartate C14H23N4O7 -1 VCSBGUACOYUIGD-YIZRAAEISA-M 03/01/2017 Peptide metabolism leuasplys Leucyl-Aspartyl-Lysine C16H30N4O6 0 MYGQXVYRZMKRDB-SDDRHHMPSA-N 03/01/2017 Peptide metabolism leucyan Leucocyanidin C15H14O7 C15H14O7 0 C05906 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism leudelphdn Leucodelphinidin C15H14O8 C15H14O8 0 C05909 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism leugly Leucylglycine C8H16N2O3 0 97364 LESXFEZIFXFIQR-LURJTMIESA-N HMDB0028929 02/07/2014 leuktrA4 leukotriene A4(1-) C20H29O3 -1 C00909 5280383 15651 UFPQIRYSPUYQHK-WAQVJNLQSA-M HMDB01337 02/07/2014 Arachidonic acid metabolism leuktrB4 leukotriene B4(1-) C20H31O4 -1 C02165 5280492 15647 VNYSSYRCGWBHLG-YEYKLZQPSA-M HMDB01085 02/07/2014 Arachidonic acid metabolism leuktrB4wcooh w-carboxy leukotriene B4 C20H28O6 -2 C05950 5280877 27562 SXWGPVJGNOLNHT-BJQSAUPESA-L HMDB06059 02/07/2014 Eicosanoid metabolism leuktrB4woh w-hydroxyl leukotriene B4 C20H31O5 -1 C04853 5280745 15646 PTJFJXLGRSTECQ-XVPSUHAQSA-M HMDB01509 02/07/2014 Eicosanoid metabolism leuktrC4 leukotriene C4(2-) C30H45N3O9S -2 C02166 5280493 16978 GWNVDXQDILPJIG-ISQRGXDUSA-L HMDB01198 02/07/2014 Eicosanoid metabolism leuktrD4 Leukotriene D4 C25H39N2O6S -1 C05951 6435286 28666 YEESKJGWJFYOOK-QLXUYSGYSA-M HMDB03080 02/07/2014 Eicosanoid metabolism leuktrE4 leukotriene E4(1-) C23H36NO5S -1 C05952 5280749 15650 OTZRAYGBFWZKMX-FRFVZSDQSA-M HMDB02200 02/07/2014 Eicosanoid metabolism leuktrF4 leukotriene F4 C28H42N2O8S -2 C06462 5280938 27491 PYSODLWHFWCFLV-MVZIKBKVSA-L HMDB06465 02/07/2014 Eicosanoid metabolism leuleu Leucylleucine C12H24N2O3 0 C11332 94244 LCPYQJIKPJDLLB-UHFFFAOYSA-N 02/07/2014 leuleutrp Leucyl-Leucyl-Tryptophan C23H34N4O4 0 FOBUGKUBUJOWAD-SXLOBPIMSA-N 03/01/2017 Peptide metabolism leupro Leucyl-Proline C11H20N2O3 0 VTJUNIYRYIAIHF-IUCAKERBSA-N 03/01/2017 Peptide metabolism leuproarg Leucyl-Prolyl-Arginine C17H33N6O4 1 QMKFDEUJGYNFMC-AVGNSLFASA-O 03/01/2017 Peptide metabolism leusertrp Leucyl-Seryl-Tryptophan C20H28N4O5 0 HWMQRQIFVGEAPH-XIRDDKMYSA-M 03/01/2017 Peptide metabolism leutrna L-Leucyl-tRNA(Leu) C6H12NOR 1 02/07/2014 tRNA Charging leutrp Leucyl-Tryptophan C17H23N3O3 0 BQVUABVGYYSDCJ-DZGCQCFKSA-N 03/01/2017 Peptide metabolism leutrparg Leucyl-Tryptophanyl-Arginine C23H36N7O4 1 IDGRADDMTTWOQC-YTQUADARSA-O 03/01/2017 Peptide metabolism leutyrtyr Leucyl-Tyrosyl-Tyrosine C24H31N3O6 0 YIRIDPUGZKHMHT-HBMCJLEFSA-N 03/01/2017 Peptide metabolism leuval Leucyl-Valine C11H22N2O3 0 MDSUKZSLOATHMH-DTWKUNHWSA-N 03/01/2017 Peptide metabolism levan1000 Levan, 1000 fructose units C6000H10002O5001 0 C01355 22833608 AIHDCSAXVMAMJH-GFBKWZILSA-N HMDB03539 02/07/2014 Plant polysaccharide degradation levanb Levanbiose C12H22O11 0 C01725 223440163 02/07/2014 Plant polysaccharide degradation levanpt Levanpentaose C30H52O26 0 02/07/2014 levanttr Levantriose C18H32O16 0 101014471 02/07/2014 Plant polysaccharide degradation levantttr Levantetraose C24H42O21 0 02/07/2014 Plant polysaccharide degradation Lfmkynr N-formyl-L-kynurenine C11H12N2O4 0 C02700 439788 18377 BYHJHXPTQMMKCA-UHFFFAOYSA-N HMDB0060485 02/07/2014 Tryptophan metabolism lgal L-Galactose C6H12O6 0 19/09/2018 Galactose metabolism lgnc lignocerate C24H47O2 -1 C08320 11197 28866 QZZGJDVWLFXDLK-UHFFFAOYSA-M HMDB02003 02/07/2014 Fatty acid synthesis lgnccoa lignocericyl coenzyme A C45H78N7O17P3S -4 C16529 53477849 HMDB06526 02/07/2014 Fatty acid synthesis lgnccrn lignoceryl carnitine C31H61NO4 0 WMMCQGKGLKWABC-SSEXGKCCSA-O 02/07/2014 Fatty acid oxidation lgt_S (R)-S-lactoylglutathionate(1-) C13H20N3O8S -1 C03451 440018 15694 VDYDCVUWILIYQF-CSMHCCOUSA-M HMDB01066 02/07/2014 Pyruvate metabolism Lhcystin L-Homocystine C8H16N2O4S2 0 C01817 69382 ZTVZLYBCZNMWCF-ZBHICJROSA-N HMDB00676 03/01/2017 Methionine and cysteine metabolism lichn Lichenin from Icelandic moss C1020H1702O851 C1020H1702O851 0 C00478 3761 27/03/2015 Plant polysaccharide degradation limnen limonene C10H16 0 C00521 439250 15383 XMGQYMWWDOXHJM-SNVBAGLBSA-N HMDB03375 02/07/2014 Limonene and pinene degradation lineth Linoleoyl Ethanolamide C20H37NO2 0 5283446 KQXDGUVSAAQARU-HZJYTTRNSA-N HMDB0012252 03/01/2017 Glycerophospholipid metabolism lipa KDO(2)-lipid (A) C110H196N2O39P2 -6 02/07/2014 Lipopolysaccharide biosynthesis lipa_cold cold adapted KDO(2)-lipid (A) C114H202N2O39P2 -6 02/07/2014 Lipopolysaccharide biosynthesis lipidA 2,3,23-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4-bisphosphate C68H126N2O23P2 -4 02/07/2014 Lipopolysaccharide biosynthesis lipidA_bt lipidA_BT C78H146N2O23P2 -4 02/07/2014 lipidA_HP lipidA_HP C82H155N2O19P -2 17/07/2015 Lipopolysaccharide biosynthesis lipidAds Lipid A Disaccharide C68H127N2O20P -2 02/07/2014 Lipopolysaccharide biosynthesis lipidAds_bt lipidAds_BT C78H147N2O20P -2 02/07/2014 lipidX 2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate C34H64NO12P -2 02/07/2014 Lipopolysaccharide biosynthesis lipidX_bt lipidX_BT C39H74NO12P -2 02/07/2014 lipidX_HP lipidX_HP C40H76NO12P -2 17/07/2015 lipoate lipoate C8H14O2S2 0 C00725 6112 30314 AGBQKNBQESQNJD-ZETCQYMHSA-N HMDB01451 02/07/2014 Arginine and proline metabolism lipp Lipoprotein C19H35NO2R2S 0 C02702 12/11/2020 Cell wall biosynthesis Lkynr L-kynurenine C10H12N2O3 0 C00328 161166 16946 YGPSJZOEDVAXAB-QMMMGPOBSA-N HMDB00684 02/07/2014 Tryptophan metabolism lmaatrna L-Methionylaminoacyl-tRNA C22H34N2O18P2R4S -2 19/09/2018 Methionine and cysteine metabolism lmn (+)-Limonene C10H16 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism lmn2 Laminaribiose C12H22O11 0 02/07/2014 Plant polysaccharide degradation lmn30 laminarin (n=30 repeat units, beta -1,3 glc) C180H302O151 0 02/07/2014 Plant polysaccharide degradation lmnd Limonene-1,2-diol C10H18O2 0 19/09/2018 Limonene and pinene degradation lmno Limonene oxide C10H16O 0 19/09/2018 Limonene and pinene degradation ln2cearg L-N2-(2-Carboxyethyl)arginine C9H18N4O4 0 19/09/2018 Miscellaneous lneldc linoelaidic acid (all trans C18:2) C18H31O2 -1 5282457 OYHQOLUKZRVURQ-AVQMFFATSA-M HMDB06270 02/07/2014 Fatty acid oxidation lneldcACP linoelaidic acid ACP (all trans) C29H51N2O8PRS -1 02/07/2014 Fatty acid oxidation lneldccoa linoelaidyl coenzyme A C39H62N7O17P3S -4 YECLLIMZHNYFCK-RRNJGNTNSA-J 02/07/2014 Fatty acid oxidation lneldccrn Linoelaidyl carnitine C25H45NO4 0 53477834 MJLXQSQYKZWZCB-OKLKQMLOSA-N HMDB06461 02/07/2014 Fatty acid oxidation lnlc linoleate C18H31O2 -1 C01595 5280450 17351 OYHQOLUKZRVURQ-HZJYTTRNSA-M HMDB00673 02/07/2014 Cholesterol metabolism lnlcACP linoleic acid ACP (all cis) C29H51N2O8PRS -1 C16160 02/07/2014 Fatty acid oxidation lnlccoa linoleic coenzyme A C39H62N7O17P3S -4 C02050 5462164 15530 YECLLIMZHNYFCK-RRNJGNTNSA-J HMDB01064 02/07/2014 Fatty acid oxidation lnlccrn Linoleyl carnitine C25H45NO4 0 6450015 MJLXQSQYKZWZCB-DQFWFXSYSA-N HMDB06469 02/07/2014 Fatty acid oxidation lnlnca alpha-linolenate C18H29O2 -1 C06427 5280934 27432 DTOSIQBPPRVQHS-PDBXOOCHSA-M HMDB01388 02/07/2014 Fatty acid oxidation lnlncacoa alpha-Linolenoyl-CoA C39H60N7O17P3S -4 C16162 53477815 51985 OMKFKBGZHNJNEX-PQBHNYBOSA-J HMDB06290 02/07/2014 Fatty acid oxidation lnlncacrn alpha-linolenyl carnitine C25H43NO4 0 53477821 DFVGGGHKDAHYIU-UHMZJXMFSA-N HMDB06319 02/07/2014 Fatty acid oxidation lnlncg gamma-linolenate C18H29O2 -1 C06426 5280933 28661 VZCCETWTMQHEPK-NPLRDPCCSA-M HMDB03073 02/07/2014 Cholesterol metabolism lnlncgcoa gamma-linolenoyl-CoA(4-) C39H60N7O17P3S -4 C03035 11966132 15508 XZQYPTBYQYZGRU-FHDVEODPSA-J HMDB06368 02/07/2014 Fatty acid oxidation lnlncgcrn gamma-linolenyl carnitine C25H43NO4 0 53477819 VDPMHVILMVSAQX-BAHSRKMSSA-N HMDB06318 02/07/2014 Fatty acid oxidation lpam lipoamide C8H15NOS2 0 C00248 863 17460 FCCDDURTIIUXBY-UHFFFAOYSA-N HMDB00962 02/07/2014 Citric acid cycle lpchol_hs lysophosphatidylcholine C8H19NO5PFULLRCO2 0 11230 02/07/2014 Cholesterol metabolism Lpipecol L-pipecolic acid C6H11NO2 0 C00408 439227 30913 HXEACLLIILLPRG-YFKPBYRVSA-N HMDB00716 02/07/2014 Lysine metabolism lpp lipoprotein XC16H30O1 0 02/07/2014 lpp_sp Braun lipoprotein signal peptide C90H165N25O25S 0 02/07/2014 lpro Lipoylprotein S2X 0 C02051 15804 02/07/2014 Glycine, serine, alanine, and threonine metabolism lps_bt Lipopolysacharide BT C198H360N4O109P3 8 02/07/2014 lps_HP Lipopolysacharide Hp specific C188H344N4O105P2 10 17/07/2015 lst4exp Losartan-E3174/ losartan-M6 C22H21ClN6O2 C22H19ClN6O2 -2 02/07/2014 Drug metabolism lstn Losartan C22H23ClN6O C22H22ClN6O -1 D08146 3961 PSIFNNKUMBGKDQ-UHFFFAOYSA-N HMDB0014816 02/07/2014 Drug metabolism lstn1gluc Losartan-N1-glucuronide C28H31ClN6O7 C28H30ClN6O7 -1 02/07/2014 Drug metabolism lstnm1 Losartan-M1 C22H23ClN6O2 C22H22ClN6O2 -1 02/07/2014 Drug metabolism lstnm2 Losartan-M2 C22H23ClN6O2 C22H22ClN6O2 -1 02/07/2014 Drug metabolism lstnm4 Losartan-M4 (glucuronide derivative) C28H29ClN6O8 C28H27ClN6O8 -2 02/07/2014 Drug metabolism lstnm5 Losartan-M5 C22H23ClN6O2 C22H22ClN6O2 -1 02/07/2014 Drug metabolism lstnm7 Losartan-N2-glucuronide / Losartan-M7 C28H31ClN6O7 C28H30ClN6O7 -1 02/07/2014 Drug metabolism lt6p L-Tagatose 6-phosphate C6H12O9P -1 19/09/2018 Galactose metabolism LTA_LLA Lipoteichoic_acid__n16__Lactis_specific_ C9720H18598O9500P1600 0 02/07/2014 LTA_LPL lipoteichoic_acid__n25__LPL_specific_ X 0 02/07/2014 LTAala_LLA Lipoteichoic_acid__n16__with_038_ala_substitutions_ C11520H22198N600O10100P1600 0 02/07/2014 LTAala_LPL Lipoteichoic_acid__n25__with_100_D_Ala_substitutions__LPL_specific_ X 0 02/07/2014 LTAAlaGal_LLA Lipoteichoic_acid__n16__with_0_38_ala_and_062_gal_ C17400H31998N600O15000P1600 0 02/07/2014 LTAglc_LPL Lipoteichoic_acid__n25_with_glucose_residues__LPL_specific_ X 0 02/07/2014 lthstrl 5alpha-cholest-7-en-3beta-ol C27H46O 0 C01189 65728 17168 IZVFFXVYBHFIHY-SKCNUYALSA-N HMDB01170 02/07/2014 Cholesterol metabolism ltlnbddg Luteolin 7-O-beta-D-diglucuronide C27H24O18 -2 19/09/2018 Pentose and glucuronate interconversions lum3 Lumisterol 3 C27H44O 0 111049 UCTLRSWJYQTBFZ-XMVWLVNMSA-N HMDB06505 02/07/2014 Vitamin D metabolism lupnt Lupinate C13H17N6O3 C13H18N6O3 0 19/09/2018 Zeatin biosynthesis lutfol Luteoforol C15H14O6 C15H14O6 0 C05907 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism lvst lovastatin lactone form C24H36O5 C24H36O5 0 D00359 53232 HMDB0014372 02/07/2014 Drug metabolism lvstacid lovastatin-hydroxyacid form C24H38O6 C24H37O6 -1 02/07/2014 Drug metabolism lxser Gal-Xyl-L-Ser (protein) C11H19O9X 0 G00155 02/07/2014 Chondroitin synthesis lypn Lysopine C9H18N2O4 C9H18N2O4 0 19/09/2018 Lysine metabolism lys_D D-lysine C6H14N2O2 C6H15N2O2 1 19/09/2018 Lysine metabolism lys_L L-lysine C6H15N2O2 1 C00047 5962 18019 KDXKERNSBIXSRK-YFKPBYRVSA-O HMDB00182 02/07/2014 Biotin metabolism lysargleu Lysyl-Arginyl-Leucine C18H38N7O4 2 YNNPKXBBRZVIRX-IHRRRGAJSA-M 03/01/2017 Peptide metabolism lyscyshis Lysyl-Cysteinyl-Histidine C15H27N6O4S 1 QQYRCUXKLDGCQN-SDDRHHMPSA-O 03/01/2017 Peptide metabolism lysglnphe Lysyl-Glutaminyl-Phenylalanine C20H32N5O5 1 PGBPWPTUOSCNLE-XHSDSOJGSA-O 03/01/2017 Peptide metabolism lysgluglu Lysyl-Glutamyl-Glutamate C16H27N4O8 -1 SKVPAQVHAQGTIJ-VMXHOPILSA-L 03/01/2017 Peptide metabolism lyslctm L-Lysine 1,6-lactam C6H13N2O 1 19/09/2018 Lysine metabolism lyslyslys Lysyl-Lysyl-Lysine C18H41N6O4 3 WBSCNDJQPKSPII-ZNMIVQPWSA-Q 03/01/2017 Peptide metabolism lyspg_LLA 1_lysyl_phosphatidyl_glycerol__lactis_specific_ C4620H8898N200O1100P100 0 02/07/2014 lyspg_LPL 1_lysyl_phosphatidyl_glycerol__LPL_specific_ X 0 02/07/2014 lyspheile Lysyl-Phenylalanyl-Isoleucine C21H35N4O4 1 LMGNWHDWJDIOPK-ONQFOCNCSA-O 03/01/2017 Peptide metabolism lystrna L-Lysine-tRNA (Lys) C6H14N2OR 2 02/07/2014 tRNA Charging lystrparg Lysyl-Tryptophanyl-Arginine C23H38N8O4 2 RYOLKFYZBHMYFW-WDSOQIARSA-M 03/01/2017 Peptide metabolism lystyrile Lysyl-Tyrosyl-Isoleucine C21H35N4O5 1 IMDJSVBFQKDDEQ-ZKVVCRCRSA-O 03/01/2017 Peptide metabolism lysvalphe Lysyl-Valyl-Phenylalanine C20H33N4O4 1 TXTZMVNJIRZABH-ULQDDVLXSA-M 03/01/2017 Peptide metabolism lysvaltrp Lysyl-Valyl-Tryptophan C22H34N5O4 1 XBAJINCXDBTJRH-YTQUADARSA-O 03/01/2017 Peptide metabolism lyx_L L-Lyxose C5H10O5 0 IAJILQKETJEXLJ-RSJOWCBRSA-N 02/07/2014 Pentose and glucuronate interconversions lyxnt L-lyxonate C5H9O6 -1 C05412 644110 QXKAIJAYHKCRRA-PZGQECOJSA-M 02/07/2014 Vitamin C metabolism m m X 0 02/07/2014 m_em_3gacpail mannosyl-3-(phosphoethanolaminyl-mannosyl)-glucosaminyl-acylphosphatidylinositol (M4A) C61H116N4O43P4FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m_em_3gacpail_hs mannosyl-3-(phosphoethanolaminyl-mannosyl)-glucosaminyl-acylphosphatidylinositol (M4A)) C61H116N4O43P4FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m_em_3gacpail_prot_hs mannosyl-3-(phosphoethanolaminyl-mannosyl)-glucosaminyl-acylphosphatidylinositol-Protein (M4A) C61H116N4O43P4FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism m(em)3gacpail_hs 10fthf5glu[c] C40H45N11O19 -6 02/07/2014 M00003 10Z-Heptadecenoic acid C17H31O2 -1 5312435 GDTXICBNEOEPAZ-FPLPWBNLSA-N HMDB0060038 03/01/2017 M00004 10Z-Heptadecenoyl Coenzyme A C38H62N7O17P3S -4 KFMWWNZRDBMYES-VUSGIKGZSA-J 03/01/2017 M00005 (5Z,8Z,12E,14Z)-(11R)-Hydroperoxyeicosa-5,8,12,14-Tetraenoic Acid (11(R)-HPETE) C20H31O4 -1 PCGWZQXAGFGRTQ-WXMXURGXSA-N 03/01/2017 M00006 11Z-Docosenoyl Coenzyme A C43H72N7O17P3S -4 NHZRWTQFSQTCJG-LTZYZTNRSA-J 03/01/2017 M00008 Eicosadienoic acid C20H35O2 -1 C16525 6439848 XSXIVVZCUAHUJO-AVQMFFATSA-N HMDB05060 03/01/2017 M00010 11,14,17-Eicosatrienoic acid C20H33O2 -1 C16522 5312529 AHANXAKGNAKFSK-PDBXOOCHSA-N HMDB0060039 03/01/2017 Fatty acid oxidation M00011 11Z,14Z,17Z-Eicosatrienoylcarnitine C27H47NO4 0 SRNPFTYGRLBDNK-QNEBEIHSSA-N 03/01/2017 M00012 11Z,14Z,17Z-Eicosatrienoyl Coenzyme A C41H64N7O17P3S -4 C16179 BVBYYRVLCDMZNJ-BNQHWWLJSA-N 03/01/2017 Fatty acid oxidation M00017 Paullinic acid C20H37O2 -1 5312518 URXZXNYJPAJJOQ-FPLPWBNLSA-N HMDB0035159 03/01/2017 M00018 13Z-Eicosenoyl Coenzyme A C41H68N7O17P3S -4 UZVWVONIQVFUPF-ZPAOSKAMSA-N 03/01/2017 M00019 (Z)-13-Octadecenoic acid C18H33O2 -1 5312441 BDLLSHRIFPDGQB-WAYWQWQTSA-N HMDB0041480 03/01/2017 M00020 13Z-Octadecenoyl Coenzyme A C39H64N7O17P3S -4 HGOXBQJVFQHNGS-FPLPWBNLSA-J 03/01/2017 M00021 13Z,16Z-docosadienoic acid C22H39O2 -1 C16533 5312554 HVGRZDASOHMCSK-HZJYTTRNSA-N HMDB0062219 03/01/2017 M00022 13Z,16Z-Docosadienoylcarnitine C29H52NO4 -1 LDIMXAXYWUCEAM-INKCZGRSSA-N 03/01/2017 M00023 13Z,16Z-Docosadienoyl Coenzyme A C43H70N7O17P3S -4 C16645 ZLXWEKYVHIYDIY-CQTCHUBRSA-J 03/01/2017 M00025 8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate C18H29O3 C18H29O3 -1 19/09/2018 alpha-Linolenic acid metabolism M00026 9(S),13(S)-12-Oxo-PDA C18H27O3 -1 19/09/2018 alpha-Linolenic acid metabolism M00027 2-Acyl-sn-glycero-3-phosphoethanolamine C6H12NO7PR -1 19/09/2018 Glycerophospholipid metabolism M00028 1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol C7H18N4O4 2 19/09/2018 Inositol phosphate metabolism M00029 1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol C7H14N3O5 1 19/09/2018 Inositol phosphate metabolism M00030 (1Aalpha,2Beta,3Alpha,11Calpha)-1A,2,3,11C-Tetrahydro-6,11-Dimethylbenzo[6,7]Phenanthro[3,4-B]Oxirene-2,3-Diol C20H18O3 0 C19559 174597 SZIWZGXOWBSPTO-ZGXWSNOMSA-N HMDB0062223 03/01/2017 M00031 (1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene C20H23N3O7S -2 C14791 11954044 HBBDHJOSZGOTBV-OIPACUDHSA-L HMDB0060300 03/01/2017 Glutathione metabolism M00033 (1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene C20H23N3O7S -2 C14792 11954045 HBBDHJOSZGOTBV-XSWJXKHESA-L HMDB0060302 03/01/2017 Xenobiotics metabolism M00034 (1S,2R)-Naphthalene 1,2-Oxide C10H8O 0 C14787 11094749 XQIJIALOJPIKGX-ZJUUUORDSA-N HMDB0060301 03/01/2017 Glutathione metabolism M00037 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate C14H19NO14S C14H19NO14S -2 19/09/2018 Chondroitin sulfate degradation M00038 4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine C14H20NO11 -1 19/09/2018 Chondroitin sulfate degradation M00039 11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al C21H30O5 0 19/09/2018 Steroid metabolism M00040 5alpha-Ergosta-7,22-diene-3beta,5-diol C28H46O2 0 19/09/2018 Steroid metabolism M00041 20-Hydroxy-3-oxopregn-4-en-21-al C21H30O3 0 19/09/2018 Steroid metabolism M00042 5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside C22H29NO12 0 19/09/2018 Inositol phosphate metabolism M00043 Elongation factor 2 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine C11H19N4O4 C11H18N4O4 0 19/09/2018 M00044 (2E)-Heneicosenoyl Coenzyme A C42H70N7O17P3S -4 SKCNHHIVLZFDCJ-IYPSAXEWSA-J 03/01/2017 M00045 (2E)-Heptadecenoyl-ACP C17H31OSR 0 03/01/2017 M00046 (2E)-Heptadecenoyl Coenzyme A C38H62N7O17P3S -4 YDHQUKOTPYJJSE-WSFAOELFSA-J 03/01/2017 M00047 (2E)-Heptenoyl-ACP C7H11OSR 0 03/01/2017 M00048 (2E)-Heptenoyl Coenzyme A C28H42N7O17P3S -4 PWHBHJPLLWGXPL-YSSUZGETSA-J 03/01/2017 M00049 (2E)-Hexacosenoyl Coenzyme A C47H80N7O17P3S -4 GGUUXBBWTGIIGE-QOJTXVRXSA-N 03/01/2017 M00050 beta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminylglycopeptide C14H24NO11R 0 19/09/2018 N-glycan degradation M00051 Apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] C26H28O14 0 19/09/2018 Plant polysaccharide degradation M00052 (3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate C8H6O6 -2 19/09/2018 Xenobiotics metabolism M00053 2-Hydroxy-6-oxo-6-(4-chlorophenyl)-hexa-2,4-dienoate C12H8O4Cl -1 19/09/2018 Xenobiotics metabolism M00054 (2E)-Nonadecenoyl Coenzyme A C40H66N7O17P3S -4 MAXBSQRWQJPHLZ-DJSYUPERSA-N 03/01/2017 M00055 (2E)-Nonenoyl-ACP C9H15OSR 0 03/01/2017 M00056 (2E)-Nonenoyl Coenzyme A C30H46N7O17P3S -4 HBLOTZDYPZAZLE-OWQWVSLFSA-J 03/01/2017 M00057 [Glu(-Cys)]n+1-Gly C18H26N5O10S2 -3 19/09/2018 Glutathione metabolism M00058 Apo-[methylmalonyl-CoA-carboxyltransferase] C7H13N3O2R2 0 19/09/2018 Biotin metabolism M00059 alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D- galactosyl-R C28H43N2O22R -2 19/09/2018 N-glycan degradation M00060 (2E)-Pentadecenoyl-ACP C15H27OSR 0 03/01/2017 M00061 (2E)-Pentadecenoyl-CoA C36H58N7O17P3S -4 86289262 BUFWYEICGKLDLP-OUZMRWKYSA-J HMDB0062229 03/01/2017 M00062 (2E)-Pentenoyl-ACP C5H7OSR 0 03/01/2017 M00063 (2E)-Pentenoyl-CoA C26H38N7O17P3S -4 86290090 GJSFKOVNQYGUGN-JQVZGLFNSA-J HMDB0062230 03/01/2017 M00064 N-Acetyl-D-galactosaminyl-1,4-beta-N-acetylneuraminyl-2,3-alpha-D- galactosyl-1,4-beta-D-glucosylceramide C50H85N3O26R -1 19/09/2018 Cell wall biosynthesis M00065 alpha-D-Glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O- alkyl-2-O-acylglycerol C22H36O19R2 0 19/09/2018 Sulfur metabolism M00066 6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl- 1,3-1-O-alkyl-2-O-acylglycerol C22H35O22R2S -1 19/09/2018 Sulfur metabolism M00067 (2E)-Tricosenoyl-CoA C44H74N7O17P3S -4 92136159 CAWFROVHOZZJJP-DFNRIUMZSA-J HMDB0062232 03/01/2017 M00068 (2E)-Tridecenoyl-ACP C13H23OSR 0 03/01/2017 M00069 (2E)-Tridecenoyl Coenzyme A C34H54N7O17P3S -4 OJMHBULHHWIOMP-IEIJHTCOSA-J 03/01/2017 M00070 (2E)-Undecenoyl-ACP C11H19OSR 0 03/01/2017 M00071 (2E)-Undecenoyl Coenzyme A C32H50N7O17P3S -4 CAVMKINPGRCURL-PHHHIDLGSA-J 03/01/2017 M00072 1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol C11H16O10R2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism M00073 1,2-Diacyl-3-O-(alpha-D-glucopyranosyl(1->2)-O-alpha-D- glucopyranosyl)sn-glycerol C17H26O15R2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism M00074 6-Oxo-2-hydroxy-7-(4-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E- trienoate C14H7O4Cl4 -1 19/09/2018 Xenobiotics metabolism M00075 alpha-N-Acetyl-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)- beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D- xylos... C35H54N3O28R2 -1 19/09/2018 Heparan sulfate degradation M00076 (9Z,11E,14Z)-(13S)-13-Hydroperoxyoctadeca-9,11,14-trienoic acid C18H29O4 -1 19/09/2018 Fatty acid oxidation M00077 (9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid C18H27O3 -1 19/09/2018 Fatty acid oxidation M00078 (10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid C18H29O4 -1 19/09/2018 Xenobiotics metabolism M00079 Pelargonidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H35O17 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism M00080 Cyanidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H35O18 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism M00081 Delphinidin 3-O-beta-D-glucoside 5-O-(6-coumaroyl-beta-D-glucoside) C36H34O19 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism M00082 Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4-O-beta-D- glucuronide C33H31O24 -3 19/09/2018 Pentose and glucuronate interconversions M00083 dTDP 1-ester with 2,6-dideoxy-L-erythro-hexopyranos-3-ulose C16H22N2O14P2 -2 19/09/2018 Cell wall biosynthesis M00085 (3S)-Hydroxy-Docasa-Cis,Cis-13,16-Dienoyl Coenzyme A C43H70N7O18P3S -4 03/01/2017 M00086 (3S)-Hydroxy-Eicosa-Cis,Cis,Cis-11,14,17-Trienoyl Coenzyme A C41H64N7O18P3S -4 03/01/2017 M00096 (5)Pppur-Mrna C10H19O16P3R2(C5H8O6PR)n 0 C02100 03/01/2017 M00100 5Z,8Z,11Z-Eicosatrienoylcarnitine C27H47NO4 0 DBCKADUSYJAPII-LJURNQLPSA-N 03/01/2017 M00101 5Z,8Z,11Z-Eicosatrienoyl Coenzyme A C41H64N7O17P3S -4 XVHUACBAJILXGX-BCYAMTKJSA-N 03/01/2017 M00112 6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoylcarnitine C31H49NO4 0 IFDZWUCFCCROPG-YZTIFYDKSA-N 03/01/2017 M00115 7Z-octadecenoic acid C18H33O2 -1 5282755 RVUCYJXFCAVHNC-QXMHVHEDSA-N HMDB0062242 03/01/2017 M00116 7Z-Octadecenoyl Coenzyme A C39H64N7O17P3S -4 IVOWZZDWEHGSGB-JUGOISETSA-J 03/01/2017 M00117 7Z-tetradecenoic acid C14H25O2 -1 5312401 ZVXDGKJSUPWREP-FPLPWBNLSA-N HMDB0062243 03/01/2017 M00122 8Z,11Z-Eicosadienoylcarnitine C27H49NO4 0 CHGSTOQVIYRPGT-QGLGPCELSA-N 03/01/2017 M00123 8Z,11Z-Eicosadienoyl Coenzyme A C41H66N7O17P3S -4 IDZIQDSITPCMGI-FQNAGHRMSA-N 03/01/2017 M00127 Elaidic acid C39H64N7O17P3S -4 C00712 445639 ZQPPMHVWECSIRJ-MDZDMXLPSA-N HMDB00573 03/01/2017 M00129 9E-Tetradecenoyl Coenzyme A C35H56N7O17P3S -4 GIIFECKTWKZXGU-CTUIEXSOSA-J 03/01/2017 M00136 (Adenosine-5-Diphosphate-D-Ribosyl)N+1-Acceptor X 0 C03245 03/01/2017 M00137 (Adenosine-5-Diphosphate-D-Ribosyl)N-Acceptor X 0 C03245 03/01/2017 M00155 (Indol-3-Yl)Acetamide C10H10N2O 0 C02693 397 ZOAMBXDOGPRZLP-UHFFFAOYSA-N HMDB0029739 03/01/2017 M00170 (S)-3-Hydroxy-11-Cis-Octadecenoyl Coenzyme A C39H64N7O18P3S -4 SCDXBWNPJAGEEK-KBOAXVDLSA-J 03/01/2017 M00172 (S)-3-Hydroxy-7-Hexadecenoyl Coenzyme A C37H60N7O18P3S -4 KZLHPKRIEDLQGG-MFDGLVOUSA-N 03/01/2017 M00187 Beta-Adrenergic-Receptor C4H6N2O3R2 0 C01141 03/01/2017 M00188 Methionine Synthase-Cob(Ii)Alamin C62H89CoN13O14P.C7H8N4O2R2 0 C06409 03/01/2017 M00189 Methionine Synthase-Methylcob(I)Alamin C63H92CoN13O14P.C7H8N4O2R2 0 C06410 03/01/2017 M00190 Myosin-Light-Chain C4H6N2O3R2 0 C01003 03/01/2017 M00191 Myosin-Light-Chain-Phosphate C20H24N10O16P3 -2 C03875 03/01/2017 M00192 Phosphorylase-A X 0 C02307 03/01/2017 M00193 Phosphorylase-B X 0 C02308 03/01/2017 M00194 Protein C-Terminal S-Farnesyl-L-Cysteine C20H33N2O3SR(C2H2NOR)n 0 C04506 03/01/2017 Ubiquinone synthesis M00195 Protein C-Terminal S-Farnesyl-L-Cysteine Methyl Ester C21H35N2O3SR(C2H2NOR)n 0 C04748 03/01/2017 Ubiquinone synthesis M00196 Protein C2H4NO2R(C2H2NOR)n 0 C00017 03/01/2017 M00197 Protein-L-Arginine C6H12N4O 0 C00613 03/01/2017 M00199 Protein L-Citrulline C6H11N3O2 0 C00327 9750 RHGKLRLOHDJJDR-BYPYZUCNSA-N HMDB00904 03/01/2017 M00200 Protein-L-Cysteine C3H5NOS 0 C02743 03/01/2017 Miscellaneous M00201 Protein-Glutamine C5H8N2O2 0 C02583 03/01/2017 Others M00202 Protein-L-Isoaspartate C5H6N2O4R2 0 C03306 03/01/2017 Miscellaneous M00203 Protein-L-Isoaspartate-Methyl-Ester C6H8N2O4R2 0 C04311 03/01/2017 Miscellaneous M00206 Protein-Tyrosine C9H9NO2 0 C00585 03/01/2017 M00207 Protein-N5-Alkylglutamine C6H8N3O3R3 0 C03636 03/01/2017 M00208 Protein N6-(Dihydrolipoyl)Lysine C8H16NOS2R 0 C16832 03/01/2017 M00209 Protein N6-(Lipoyl)Lysine C8H14NOS2R 0 C16237 03/01/2017 M00210 Protein N6-(Octanoyl)Lysine C8H16NOR 0 C16236 03/01/2017 M00213 Protein N6-Methyl-L-Lysine C8H15N3O2R2 0 C05544 03/01/2017 Lysine metabolism M00214 Protein-N-Ubiquityllysine X 0 C03635 03/01/2017 M00215 Protein-Omega-N-(Adenosine-5-Diphosphate-D-Ribosyl)-L-Arginine C22H34N10O15P2R2 0 C16011 03/01/2017 M00216 Protein-S-Methyl-L-Cysteine C5H8N2O2SR2 0 C03800 03/01/2017 Miscellaneous M00217 Protein-Tyrosine-O-Sulfate C10H10N2O6SR2 0 C03721 03/01/2017 M00218 Protein Tyrosine Phosphate C10H11N2O6PR2 0 C01167 03/01/2017 Tyrosine metabolism M00219 [Pyruvate Dehydrogenase (Acetyl-Transferring)] C4H6N2O3R2 0 C01256 03/01/2017 M00220 Hydrogen phosphate C4H5N2O6PR2 -2 C01293 57424078 NBIIXXVUZAFLBC-UHFFFAOYSA-L HMDB00973 03/01/2017 M00222 1-(1-Alkenyl)-Sn-Glycero-3-Phosphate C5H10O6PR 0 C15646 52929772 LBGSRVIXIVDRQM-OAXWQBPPSA-N HMDB0011154 03/01/2017 M00223 1-(1-Alkenyl)-Sn-Glycero-3-Phosphoethanolamine C7H15NO6PR 0 C04635 03/01/2017 Glycerophospholipid metabolism M00224 1-(1-Alkenyl)-Sn-Glycerol C5H9O3R 0 C15645 03/01/2017 Glycerophospholipid metabolism M00225 1-(3-Pyridinyl)-1,4-Butanediol C9H13NO2 0 C19582 156653 RGJHRVMTLGLFPX-UHFFFAOYSA-N HMDB0062266 03/01/2017 M00226 1-(Methylnitrosoamino)-4-(3-Pyridinyl)-1,4-Butanediol C10H15N3O3 0 C19577 ZDEMEBJTHIDHSF-UHFFFAOYSA-N 03/01/2017 M00227 1,1-Dichloroethylene Epoxide C2H2Cl2O 0 DPVAHOUXGQHEOI-UHFFFAOYSA-N HMDB0060333 03/01/2017 Xenobiotics metabolism M00228 1,1-Dichloroethylene C2H2Cl2 0 C14039 6366 LGXVIGDEPROXKC-UHFFFAOYSA-N 03/01/2017 M00229 1,2,3,4-Tetrahydro-Alpha,7-Dihydroxy-Beta-(Hydroxymethyl)-9-Methoxy-3,4-Dioxocyclopenta[C][1]Benzopyran-6-Propanal C17H16O8 0 C19591 XSQLDUBMTHWWOR-UHFFFAOYSA-N 03/01/2017 M00232 1,2-D-Glucosyl-5-D-(Galactosyloxy)-L-Lysine-Procollagen C19H33N3O13R2 0 C04759 03/01/2017 M00234 1,2-Diacylglycerol-Chylomicron-Pool C5H6O5R2 0 C00641 03/01/2017 M00241 1,2-Diacylglycerol-VLDL-Pool C5H6O5R2 0 C00641 03/01/2017 M00242 1,2-Dibromoethane C2H4Br2 0 PAAZPARNPHGIKF-UHFFFAOYSA-N HMDB0060334 03/01/2017 Xenobiotics metabolism M00243 1,2-Dihydronaphthalene-1,2-Diol C10H10O2 0 C06205 QPUHWUSUBHNZCG-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M00244 1,2-Dihydroxy-3,4-Epoxy-1,2,3,4-Tetrahydronaphthalene C10H10O3 0 C14784 186920 XDSJRQRRQDAPNL-UHFFFAOYSA-N HMDB0062273 03/01/2017 M00245 1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One C6H10O3S 0 C15606 5462190 CILXJJLQPTUUSS-XQRVVYSFSA-N HMDB0012134 03/01/2017 M00246 1,2-Naphthoquinone C10H6O2 0 C14783 KETQAJRQOHHATG-UHFFFAOYSA-N 03/01/2017 M00250 1,4-Dihydroxynaphthalene C10H8O2 0 C14785 PCILLCXFKWDRMK-UHFFFAOYSA-N 03/01/2017 M00251 1,4-Naphthoquinone C10H6O2 0 C02617 FRASJONUBLZVQX-UHFFFAOYSA-N 03/01/2017 M00260 10Z,13Z,16Z,19Z-Docosatetraenoic Acid C22H35O2 -1 IGFLWIHPPADNDL-LTKCOYKYSA-N 03/01/2017 M00261 10Z,13Z,16Z,19Z-Docosatetraenoylcarnitine C29H49NO4 0 DZMCTWIUTJHPSM-DOFZRALJSA-N 03/01/2017 M00263 10Z,13Z,16Z-Docosatrienoylcarnitine C29H51NO4 0 LXPNJPQMUSVYIJ-YOILPLPUSA-N 03/01/2017 M00265 10Z,13Z,16Z-Docosatriynoic Acid C22H37O2 -1 RILVNGKQIULBOQ-QNEBEIHSSA-N 03/01/2017 M00276 11,12,15-Trihydroxyeicosatrienoic Acid C20H33O5 -1 PRMWQIVYOYCJQC-YZSNCDGGSA-N 03/01/2017 M00277 11,12-Dihydroxy-5Z,8Z,14Z-Eicosatrienoic Acid C20H33O4 -1 LRPPQRCHCPFBPE-KROJNAHFSA-N 03/01/2017 M00280 11,14,15-Trihydroxy-5Z,8Z,12E-Eicosatrienoic Acid C20H33O5 -1 YCFPVUKKIWMCJK-LTCHCNGXSA-N 03/01/2017 M00283 11Beta,17Alpha,21-Trihydroxypregnenolone C21H32O5 0 C05489 440708 HAFVWTUQBYRPOB-WXEVJGDQSA-N HMDB06760 03/01/2017 Steroid metabolism M00285 11Beta-Hydroxyprogesterone C21H30O3 0 C05498 44263342 BFZHCUBIASXHPK-GCEOMYSDSA-N HMDB04031 03/01/2017 M00292 11-Cis-Retinyl-Palmitate C36H60O2 0 C03455 VYGQUTWHTHXGQB-YEXJKBCSSA-N 03/01/2017 Vitamin A metabolism M00296 11-Hydroxy-14,15-Epoxy-5Z,8Z,12E-Eicosatrienoic Acid C20H31O4 -1 WLMZMBKVRPUYIG-LTCHCNGXSA-N 03/01/2017 M00297 11-HETE C20H31O3 -1 GCZRCCHPLVMMJE-RLZWZWKOSA-N 03/01/2017 M00304 11-Trans-Leukotriene E4 C23H37NO5S 0 5283136 OTZRAYGBFWZKMX-DVFCZEDWSA-N HMDB0062286 03/01/2017 M00310 12(13)-Epoxy-6Z,9Z-Octadecadienoic Acid C18H29O3 -1 TVHXKPMFCYEQTM-LGXSBLIVSA-N 03/01/2017 M00315 12Z,15Z,18Z,21Z-Tetracosatetraenoic Acid C24H39O2 -1 IWSADGAQVYYXMM-LTKCOYKYSA-N 03/01/2017 M00316 12Z,15Z,18Z,21Z-Tetracosatetraenoylcarnitine C31H53NO4 0 GQZSZGPMCFHVHE-UXGBKZFVSA-N 03/01/2017 M00320 5S,12S-Dihydroxy-6Z,8E,10E,14Z-Eicosatetraenoic Acid C20H31O4 -1 VNYSSYRCGWBHLG-LRNSMHPUSA-N 03/01/2017 M00321 12R-Hydroxy-5Z,8Z,12Z-Eicosatrienoic Acid C20H33O3 -1 RFAKHEWADWLSJX-ZIQRGBBDSA-N 03/01/2017 M00334 12-KETE C20H29O3 -1 C14807 5283162 GURBRQGDZZKITB-QGXLQBIUSA-N HMDB0013633 03/01/2017 M00336 13S-hydroxyoctadecadienoic acid C18H31O3 -1 C14762 6443013 HNICUWMFWZBIFP-IRQZEAMPSA-N HMDB04667 03/01/2017 M00338 11,15-Dioxo-9S-Hydroxy-5Z-Prostenoic Acid C20H31O5 -1 VSRXYLYXIXYEST-OKYBNHCASA-N 03/01/2017 M00341 Docosatrienoic acid C22H37O2 -1 5312557 WBBQTNCISCKUMU-IUQGRGSQSA-N HMDB02823 03/01/2017 M00342 13Z,16Z,19Z-Docosatrienoylcarnitine C29H51NO4 0 OCGDLIUNELUBCT-QNEBEIHSSA-N 03/01/2017 M00343 13Z,16Z,19Z-Docosatrienoyl Coenzyme A C43H68N7O17P3S -4 DQQAMGWQUZPGGR-VLXGOXSMSA-J 03/01/2017 M00364 14,15-Dihydroxy-5Z,8Z,11Z-Eicosatrienoic Acid C20H33O4 -1 SYAWGTIVOGUZMM-ILYOTBPNSA-N 03/01/2017 M00377 15S-Hydroxy-5Z,8Z,11Z,13E-Eicosatetraenoic Acid C20H31O3 -1 JSFATNQSLKRBCI-VAEKSGALSA-N 03/01/2017 M00381 9S-Hydroxy-11,15-Dioxo-5Z,13E-Prostadienoic Acid C20H29O5 -1 XEQAHADLFLAPQL-AQDJLICYSA-N 03/01/2017 M00382 9S-Hydroxy-11-Oxo-5Z,12E,14E-Prostatrienoic Acid C20H29O4 -1 QUGBPWLPAUHDTI-HZKWRGKMSA-N 03/01/2017 M00383 11-Oxo-5Z,9,12E,14E-Prostatetraenoic Acid C20H27O3 -1 VHRUMKCAEVRUBK-GODQJPCRSA-N 03/01/2017 M00390 11,12-Epoxy-15S-Hydroxy-5Z,8Z,13E-Eicosatrienoic Acid C20H31O4 -1 GELFSVXLSDZDHE-YZSNCDGGSA-N 03/01/2017 M00392 9S,11R-Dihydroxy-15-Oxo-5Z,13E-Prostadienoic Acid C20H31O5 -1 LOLJEILMPWPILA-BUTRDJLRSA-N 03/01/2017 M00393 15-KETE C20H29O3 -1 C04577 5280701 YGJTUEISKATQSM-USWFWKISSA-N HMDB0010210 03/01/2017 M00396 16R-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 JEKNPVYFNMZRJG-IFOZKBMWSA-N 03/01/2017 M00405 17Alpha,20Alpha-Dihydroxycholesterol C27H46O3 0 C05499 53477898 PRZXKPDANWDCNC-DEFXBDIRSA-N HMDB06764 03/01/2017 Steroid metabolism M00406 17Alpha,21-Dihydroxypregnenolone C21H32O4 0 C05487 192735 JNHJGXQUDOYJAK-LQMCTMSCSA-N HMDB06762 03/01/2017 Steroid metabolism M00414 17-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 OPPIPPRXLIDJKN-JPURVOHMSA-N 03/01/2017 M00424 18-Carboxy Dinor Leukotriene B4 C18H24O6 -2 XWRIIHRGMKHPHN-IFPXAZRNSA-N 03/01/2017 M00426 18-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 PPCHNRUZQWLEMF-XBOCNYGYSA-N 03/01/2017 M00429 18-Hydroxycorticosterone C21H30O5 0 HFSXHZZDNDGLQN-LHIFZNGDSA-N 03/01/2017 M00430 19S-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 XFUXZHQUWPFWPR-QPOJLOMQSA-N 03/01/2017 M00431 19-Hydroxyandrostenedione C19H26O3 0 ATRIVBMELCYOJK-OWFNXAGYSA-N 03/01/2017 M00433 19-Oxoandrostenedione C19H24O3 0 XRCFMDPVHKVRDJ-BGJMDTOESA-N 03/01/2017 M00434 19-Oxo-Testosterone C19H26O3 0 C05295 7048589 TXNCGXATKOMEQC-KOUJMVCDSA-N HMDB03959 03/01/2017 M00435 1A,11B-Dihydro-4,9-Dimethylbenz[A]Anthra[3,4-B]Oxirene C20H16O 0 C19489 UZKWBBZEYBCHIN-UHFFFAOYSA-N 03/01/2017 M00436 1-Acylglycerol-3P-10,13,16,19-Doco C25H41O7P -2 KARLIJKROVESIP-UBXZGHBNSA-N 03/01/2017 M00437 1-Acylglycerol-3P-10,13,16-Docosa C25H37O7P -2 YJDLHQUZSFUJGW-PJBCHDMKSA-N 03/01/2017 M00438 1-Acylglycerol-3P-10-Heptade C20H37O7P -2 VCCMYKUIJIFAOQ-UCFODXPJSA-N 03/01/2017 M00439 1-Acylglycerol-3P-11,14,17-Eico C23H39O7P -2 DMZXKNSNIJKINA-LXLZSIJESA-N 03/01/2017 M00440 1-(11Z,14Z-Eicosadienoyl)-Glycero-3-Phosphate C23H41O7P -2 PIWSAHYRIXOITD-DRIBPHMRSA-N 03/01/2017 M00441 1-(11Z-Docosenoyl)-Glycero-3-Phosphate C25H47O7P -2 SNGZFCPKZNNZFT-QXMHVHEDSA-N 03/01/2017 M00442 1-(11Z-Eicosenoyl)-Glycero-3-Phosphate C23H43O7P -2 OAYFHKCHTMNTLM-DYYZXQNHSA-N 03/01/2017 M00443 1-Acylglycerol-3P-12,15,18,21-Tetra C27H45O7P -2 PBDSSLZJFJNZRY-JEBUAXPUSA-N 03/01/2017 M00444 1-Acylglycerol-3P-13,16,19-Doco C25H43O7P -2 GRAXTJJQRVIKFC-VKZRBKSOSA-N 03/01/2017 M00445 1-(13Z,16Z-Docosadienoyl)-Glycero-3-Phosphate C25H45O7P -2 GFXKNONHFFXXOL-HZJYTTRNSA-N 03/01/2017 M00446 1-Acylglycerol-3P-13-Docose C25H47O7P -2 UXYLIEZFFBAJAG-HBRDYDSTSA-N 03/01/2017 M00447 1-Acylglycerol-3P-13-Eicose C23H43O7P -2 UWPUIZDFMSIUMM-DORXLWPQSA-N 03/01/2017 M00448 1-Acylglycerol-3P-13-Octade C21H39O7P -2 DZDOUPCGVWOUKA-XJDXJNMNSA-N 03/01/2017 M00449 1-Acylglycerol-3P-15-Tetra C27H51O7P -2 LUOJYKBTQKAEPP-OGJPMFGRSA-N 03/01/2017 M00450 1-(4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoyl)-Glycero-3-Phosphate C25H37O7P -2 UWHSPTWBPTXYMF-WGXDANRYSA-N 03/01/2017 M00451 1-Acylglycerol-3P-4,7,10,13,16-Docosa C25H39O7P -2 BAJTXVWXVJSULG-JGUSGSGWSA-N 03/01/2017 M00452 1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-Glycero-3-Phosphate C23H35O7P -2 DKFJPTBTSHHMCQ-NJALTABKSA-N 03/01/2017 M00453 1-Acylglycerol-3P-5,8,11-Eico C23H39O7P -2 GSDLIEVAGUEBCL-WLWXPVBDSA-N 03/01/2017 M00454 1-Acylglycerol-3P-5-Tetrade C17H31O7P -2 PZYYQHYNDLHLRZ-SCOAYWHSSA-N 03/01/2017 M00455 1-Acylglycerol-3P-6,9,12,15,18,21-Tetra C27H41O7P -2 YPYHOFRCFHPRMI-HMOKEWCGSA-N 03/01/2017 M00456 1-Acylglycerol-3P-6,9,12,15,18-Tetraco C27H43O7P -2 YFCJDVVPMISFEK-UPZXKYDSSA-N 03/01/2017 M00457 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-Glycero-3-Phosphate C21H33O7P -2 AHLQLKDUCYXYLC-LTKCOYKYSA-N 03/01/2017 M00458 1-Acylglycerol-3P-6,9-Octa C21H37O7P -2 XWPQFIILNNYTFC-KDNKUCRHSA-N 03/01/2017 M00459 1-Acylglycerol-3P-7,10,13,16,19-Docosa C25H39O7P -2 MAVJZWJXRPSWDK-DMYJNBFYSA-N 03/01/2017 M00460 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-Glycero-3-Phosphate C25H41O7P -2 KSDVXYAHZXLGDS-AVHBIOJASA-N 03/01/2017 M00461 1-Acylglycerol-3P-7-Hexade C19H35O7P -2 YVKSLWWHDIPMOC-BBVFFXRHSA-N 03/01/2017 M00462 1-Acylglycerol-3P-7-Octade C21H39O7P -2 YCOPNGNHTHCYKQ-SGWGQVFISA-N 03/01/2017 M00463 1-Acylglycerol-3P-7-Tetrade C17H33O7P 0 03/01/2017 M00464 1-Acylglycerol-3P-8,11,14,17-Eico C23H37O7P -2 03/01/2017 M00465 1-Acylglycerol-3P-8,11-Eico C23H41O7P -2 03/01/2017 M00466 1-Acylglycerol-3P-9,12,15,18,21-Tetra C27H43O7P -2 03/01/2017 M00467 1-Acylglycerol-3P-9,12,15,18-Tetraco C27H45O7P -2 03/01/2017 M00468 1-Acylglycerol-3P-9-Eicose C23H43O7P -2 RWFBDFHLJRCGEZ-LEQVUBRHSA-N 03/01/2017 M00469 1-(9Z-Heptadecenoyl)-Sn-Glycero-3-Phosphate (Ammonium Salt) C20H37O7P -2 PIVUMJCNAUHUPL-QWUACUGRSA-N 03/01/2017 M00470 1-Acylglycerol-3P-9-Octade C21H39O7P -2 WRGQSWVCFNIUNZ-XTXLJPNXSA-N 03/01/2017 M00471 1-(9Z-Tetradecenoyl)-Glycero-3-Phosphate C17H31O7P -2 IQSHJASKBUVXAG-WAYWQWQTSA-N 03/01/2017 M00474 1-Acylglycerol-3P-Cis-Vac C21H39O7P -2 LWSYATLSXCUNTB-AQWUKCDYSA-N 03/01/2017 M00476 1-(8Z,11Z,14Z-Eicosatrienoyl)-Glycero-3-Phosphate C23H39O7P -2 LZSKMXWVALYCLG-QNEBEIHSSA-N 03/01/2017 M00477 1-Docosanoyl-Glycero-3-Phosphate C25H49O7P -2 SQNPGTTUWWZACK-UHFFFAOYSA-N 03/01/2017 M00478 1-Eicosanoyl-Glycero-3-Phosphate C23H45O7P -2 NWCZIQDBEQKZSD-UHFFFAOYSA-N 03/01/2017 M00479 1-(6Z,9Z,12Z-Octadecatrienoyl)-Glycero-3-Phosphate C21H35O7P -2 KWFUSJZUJLGPTO-RNCOHGIQSA-N 03/01/2017 M00480 1-Heneicosanoyl-Glycero-3-Phosphate C24H47O7P -2 SPXKINNONQHLLM-UHFFFAOYSA-N 03/01/2017 M00481 1-Heptadecanoyl-Glycero-3-Phosphate C20H39O7P -2 AXKVUJMUBAXXKG-UHFFFAOYSA-N 03/01/2017 M00482 1-Acylglycerol-3P-Hexacosa C29H57O7P -2 YKXJHSJFWNLVGK-NDEPHWFRSA-N 03/01/2017 M00483 1-Acylglycerol-3P-Hexecose C29H55O7P -2 03/01/2017 M00484 1-Dodecanoyl-Glycero-3-Phosphate C15H29O7P -2 STTKJLVEXMKLNA-UHFFFAOYSA-N 03/01/2017 M00492 1-(9Z,12Z,15Z-Octadecatrienoyl)-Glycero-3-Phosphate C21H35O7P -2 DVNZKWQUAXJYGB-PDBXOOCHSA-N 03/01/2017 M00493 1-Tetradecanoyl-Sn-Glycero-3-Phosphate C17H33O7P -2 FAZBDRGXCKPVJU-INIZCTEOSA-N 03/01/2017 M00494 1-Nonadecanoyl-Glycero-3-Phosphate C22H43O7P -2 YAERNOYIELLICR-UHFFFAOYSA-N 03/01/2017 M00498 1-Pentadecanoyl-Glycero-3-Phosphate C18H35O7P -2 RZDCKQARKXMIQI-UHFFFAOYSA-N 03/01/2017 M00500 1-Acylglycerol-3P-Tetraco C27H53O7P -2 NNKULLNAFVPJMY-SANMLTNESA-N 03/01/2017 M00501 1-Acylglycerol-3P-Trico C26H51O7P -2 YBSIJNWTTYEIND-VWLOTQADSA-N 03/01/2017 M00502 1-Tridecanoyl-Sn-Glycero-3-Phosphate (Ammonium Salt) C16H31O7P -2 XUCWFZYFDPBQGZ-HNNXBMFYSA-N 03/01/2017 M00503 Monoacylglycerol-Chylomicron-Pool C4H7O4R 0 C01885 03/01/2017 M00510 1-Acylglycerol-VLDL-Pool C4H7O4R 0 C01885 03/01/2017 M00511 1-Acyl-Sn-Glycero-3-Phosphoethanolamine C6H12NO7PR -1 C04438 03/01/2017 M00512 1-Alkenyl-2-acylglycerol C6H8O4R2 C6H8O4R2 0 C03454 22/04/2016 Cell wall biosynthesis M00513 1-Alkyl-2-Acetyl-Sn-Glycerol C5H9O4R 0 03/01/2017 M00532 1-Hexadecyl-Glycero-3-Phosphate C19H39O6P -2 XLVRFPVHQPHXAA-IBGZPJMESA-N 03/01/2017 M00535 2-Acyl-Sn-Glycero-3-Phosphocholine C9H20NO7PR 0 C04233 03/01/2017 Glycerophospholipid metabolism M00538 1-Naphthol C10H8O 0 C11714 7005 KJCVRFUGPWSIIH-UHFFFAOYSA-N HMDB0012138 03/01/2017 M00539 1-Naphthylamine C10H9N 0 C14790 RUFPHBVGCFYCNW-UHFFFAOYSA-N 03/01/2017 M00540 1-Nitro-5,6-Dihydroxy-Dihydronaphthalene C10H9NO4 0 C14801 VNMNNCGXMBPWIX-UHFFFAOYSA-N 03/01/2017 M00541 1-Nitro-5-Glutathionyl-6-Hydroxy-5,6-Dihydronaphthalene C20H24N4O9S 0 C14806 11954057 ASZHPHJDCUIIBF-RJXQQRCHSA-N HMDB0060326 03/01/2017 Xenobiotics metabolism M00542 1-Nitro-5-Hydroxy-6-Glutathionyl-5,6-Dihydronaphthalene C20H24N4O9S 0 C14805 11954056 SFJZEQDXMXSLGC-RJXQQRCHSA-N HMDB0060327 03/01/2017 Xenobiotics metabolism M00543 1-Nitro-7-Glutathionyl-8-Hydroxy-7,8-Dihydronaphthalene C20H24N4O9S 0 C14804 11954055 FCTXJUPCCZHZHU-WXFCVCCESA-N HMDB0060329 03/01/2017 Xenobiotics metabolism M00544 1-Nitro-7-Hydroxy-8-Glutathionyl-7,8-Dihydronaphthalene C20H24N4O9S 0 C14803 11954054 RQCSOWVLCHNLLC-WXFCVCCESA-N HMDB0060330 03/01/2017 Xenobiotics metabolism M00545 1-nitronaphthalene C10H6NO2 -1 C14040 6849 RJKGJBPXVHTNJL-UHFFFAOYSA-N HMDB0062188 03/01/2017 M00546 1-Nitronaphthalene-5,6-Oxide C10H7NO3 0 C14800 GSAMVXYBVGOJMK-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M00547 1-Nitronaphthalene-7,8-Oxide C10H7NO3 0 C14802 JBECFHRNFSQXPM-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M00548 1-Nitrosonaphthalene C10H7NO 0 C14788 30767 HXOPMUIUKYURIC-UHFFFAOYSA-N HMDB0062189 03/01/2017 M00550 1-palmitoyl-dihydroxyacetone-phosphate C19H35O7P -2 C01192 167650 MLWXSIMRTQAWHY-UHFFFAOYSA-N HMDB0062190 03/01/2017 M00561 2-(a-Hydroxyethyl)thiamine diphosphate C14H20N4O8P2S -3 C05125 440568 RRUVJGASJONMDY-UHFFFAOYSA-O HMDB03904 03/01/2017 M00565 2-(S-Glutathionyl)acetyl chloride C12H17ClN3O7S -1 C14865 11954073 QUWRSBQWJGCKIV-BQBZGAKWSA-N HMDB0060342 03/01/2017 Xenobiotics metabolism M00566 2-(S-Glutathionyl)acetyl glutathione C22H32N6O13S2 -2 C14863 11954072 QEJUVDVAWJBQIG-CYDGBPFRSA-N HMDB0060343 03/01/2017 Xenobiotics metabolism M00567 2,2-Dichloro-1,1-Ethanediol C2H4Cl2O2 0 C14860 85275 RUUBIFVWPACNLY-UHFFFAOYSA-N HMDB0062193 03/01/2017 M00568 2,2-Dichloroacetaldehyde C2H2Cl2O 0 NWQWQKUXRJYXFH-UHFFFAOYSA-N HMDB0060357 03/01/2017 Xenobiotics metabolism M00571 2,3-Dihydro-2-S-Glutathionyl-3-Hydroxy Bromobenzene C16H22BrN3O7S 0 C14848 11954067 BYHFLDCNLZPMDY-PXAOEZFJSA-N HMDB0060358 03/01/2017 Xenobiotics metabolism M00579 Cholest-5-En-3Beta,20R,22R-Triol C27H46O3 0 C05501 53477897 ISBSSBGEYIBVTO-SSFXUMSLSA-N HMDB06763 03/01/2017 M00603 4-Pregnene-11Beta,17Alpha-Diol-3,20-Dione C21H30O4 0 C05497 222803 LCZBQMKVFQNSJR-AWYSGOOKSA-N HMDB04030 03/01/2017 M00605 21-Hydroxypregnenolone C21H32O3 0 C05485 247020 MOIQRAOBRXUWGN-ANWDBCJUSA-N HMDB04026 03/01/2017 Steroid metabolism M00606 Cholest-5-En-3Beta,22R-Diol C27H46O2 0 C05502 167685 RZPAXNJLEKLXNO-RDONLKSSSA-N HMDB04035 03/01/2017 M00615 25(R)Tetrahca Coenzyme A C48H76N7O21P3S -4 PXHZOQNODUPJKC-DPSJMXRESA-N 03/01/2017 M00617 (25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA C48H76N7O19P3S -4 C17346 50986117 SBYLHTNKEWSLBA-WKKPLVHGSA-N HMDB0060306 03/01/2017 M00625 27-Hydroxycholesterol C27H46O2 0 FYHRJWMENCALJY-YVZNNCSMSA-N 03/01/2017 M00627 2-Acyl-1-(1-Alkenyl)-Sn-Glycero-3-Phosphate C6H9O7PR2 0 C15647 52929743 OLCTYLMZTXKGKH-BBNWHMLASA-N HMDB0011155 03/01/2017 Glycerophospholipid metabolism M00636 2-Bromoacetaldehyde C2H3BrO 0 NMPVEAUIHMEAQP-UHFFFAOYSA-N HMDB0060344 03/01/2017 Xenobiotics metabolism M00637 2-Bromophenol C6H5BrO 0 C14841 7244 VADKRMSMGWJZCF-UHFFFAOYSA-N HMDB0032059 03/01/2017 M00643 2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid C9H7O4 -1 C05350 636708 GQYBCIHRWMPOOF-YVMONPNESA-N HMDB06915 03/01/2017 M00646 Tartronate semialdehyde C3H3O4 -1 C01146 1122 QWBAFPFNGRFSFB-UHFFFAOYSA-N HMDB06938 03/01/2017 M00647 Enol-phenylpyruvate C9H7O3 -1 C02763 641637 DEDGUGJNLNLJSR-VURMDHGXSA-N HMDB0012225 03/01/2017 M00653 2-Hydroxyglutarate C5H6O5 -2 C02630 43 HWXBTNAVRSUOJR-UHFFFAOYSA-N HMDB0059655 03/01/2017 M00658 2-Methoxy-6-All Trans-Decaprenyl-2-Methoxy-1,4-Benzoquinol C57H90O3 0 50986248 LIOKNOIJMJKVCG-RDSVHMIISA-N HMDB0062197 03/01/2017 M00668 2-Naphthol C10H8O 0 C11713 8663 JWAZRIHNYRIHIV-UHFFFAOYSA-N HMDB0012322 03/01/2017 M00673 2-Phenylacetamide C8H9NO 0 C02505 7680 LSBDFXRDZJMBSC-UHFFFAOYSA-N HMDB0010715 03/01/2017 M00676 2-S-glutathionyl acetate C12H18N3O8S -1 C14862 11954071 WBINJBFJLWYSJZ-BQBZGAKWSA-M HMDB0062198 03/01/2017 M00677 Farnesal C15H24O 0 YHRUHBBTQZKMEX-YFVJMOTDSA-N HMDB0060356 03/01/2017 M00683 3-(Acyloxy)Acyl-Group-Of-Bacterial-Toxin C54H89N2O25P2R7 0 C11547 03/01/2017 M00684 3-Methylthiopropionic acid C4H7O2S -1 C08276 563 CAOMCZAIALVUPA-UHFFFAOYSA-N HMDB01527 03/01/2017 M00699 3(S)-Hydroxy-11Cis-Docosenoyl Coenzyme A C43H72N7O18P3S -4 NJXWHMZZUSHYFR-IPMOPUFESA-J 03/01/2017 M00702 3(S)-Hydroxy-13-Cis-Eicosenoyl Coenzyme A C41H68N7O18P3S -4 MNTYKYKLBOOZFS-LRZFLKDSSA-J 03/01/2017 M00704 3(S)-Hydroxy-3-Oxo-Eicosadienoyl Coenzyme A C41H66N7O18P3S -4 03/01/2017 M00707 3(S)-Hydroxy-9-Cis-Eicosenoyl Coenzyme A C41H68N7O18P3S -4 BPKNFERTVIOIGY-CMRTUOMRSA-J 03/01/2017 M00712 3(S)-Hydroxy-Docosa-13,16,19-All-Cis-Trienoyl Coenzyme A C43H68N7O18P3S -4 OMYYPDBAWCREJL-BZFCONMTSA-J 03/01/2017 M00715 3(S)-Hydroxy-Hexacosenoyl Coenzyme A C47H80N7O18P3S -4 WAMXYKIMRKFSFS-YFIWGTITSA-N 03/01/2017 M00724 3,4-Dihydro-3-Hydroxy-4-S-Glutathionyl Bromobenzene C16H22BrN3O7S 0 C14847 11954066 WIPMNDWTVDZAHE-JYBOHDQNSA-N HMDB0060381 03/01/2017 Xenobiotics metabolism M00742 3,7,24THCA C27H45O5 -1 MCJRHGYHESPEGM-PJFLYYFFSA-M 03/01/2017 M00743 3,7,24Thca Coenzyme A C48H76N7O20P3S -4 SZBMUAIJWNJARR-GEERDDCJSA-N 03/01/2017 M00746 3Alpha,7Alpha,12Alpha,24-Tetrahydroxy-5Beta-Cholestan-26-Al C27H46O5 0 MZWYIFQIBJLCBI-USUYNRBQSA-N 03/01/2017 M00753 3Alpha,7Alpha,24-Trihydroxy-5Beta-Cholestan-26-Al C27H46O4 0 GDUNLMLXJUYQIN-MWDRPLOESA-N 03/01/2017 M00754 3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA C48H74N7O20P3S -4 C05449 440676 QWTJBRPOHKIMDT-MVFHLHSISA-N HMDB06896 03/01/2017 Bile acid synthesis M00759 3Alpha-Hydroxy-5Alpha-Pregnan-20-One C21H34O2 0 C13712 92786 AURFZBICLPNKBZ-FOONYZIMSA-N HMDB01449 03/01/2017 M00770 3-Demethylubiquinol-10 C58H92O4 0 56927876 VLMQNHNMQVLPQI-AVRCVIBKSA-N HMDB0062350 03/01/2017 M00774 3-Hydroxyacyl-Group-Of-Bacterial-Toxin C52H91N2O23P2R5 0 C11548 03/01/2017 M00778 3-Hydroxyheneicosanoyl Coenzyme A C42H72N7O18P3S -4 LBHWAYLZAXAPNP-YQXLYXDMSA-N 03/01/2017 M00779 3-Hydroxyheptadecanoyl-ACP C17H33O2SR 0 03/01/2017 M00780 3-Hydroxyheptadecanoyl Coenzyme A C38H64N7O18P3S -4 WSVGZMBRZBPVEM-JKWRZQDASA-J 03/01/2017 M00781 3-Hydroxyheptanoyl-ACP C7H13O2SR 0 03/01/2017 M00782 3-Hydroxyheptanoyl Coenzyme A C28H44N7O18P3S -4 VISQBWUSDZWVMM-FPVIQYCMSA-J 03/01/2017 M00783 3-Hydroxyhexacosanoyl Coenzyme A C47H82N7O18P3S -4 GBMJOTOUUWGTIA-HSPCTEKSSA-N 03/01/2017 M00790 3-Hydroxynonadecanoyl Coenzyme A C40H68N7O18P3S -4 KNWRTKVRQHXUCH-FQUAXEBYSA-N 03/01/2017 M00791 3-Hydroxynonanoyl-ACP C9H17O2SR 0 03/01/2017 M00792 3-Hydroxynonanoyl Coenzyme A C30H48N7O18P3S -4 PDYUUZANEPCZPL-NVQRUNIKSA-J 03/01/2017 M00794 3-Hydroxypentadecanoyl-ACP C15H29O2SR 0 03/01/2017 M00795 3-Hydroxypentadecanoyl Coenzyme A C36H60N7O18P3S -4 QAAKZCOMMVOBIA-ZJHONPRDSA-J 03/01/2017 M00796 3-Hydroxypentanoyl-ACP C5H9O2SR 0 03/01/2017 M00797 3-Hydroxypentanoyl Coenzyme A C26H40N7O18P3S -4 YYGYPCRWZMLSGK-XMWLYHNJSA-J 03/01/2017 M00802 3-Hydroxytricosanoyl Coenzyme A C44H76N7O18P3S -4 03/01/2017 M00803 3-Hydroxytridecanoyl-ACP C13H25O2SR 0 03/01/2017 M00804 3-Hydroxytridecanoyl Coenzyme A C34H56N7O18P3S -4 DGCKWHYVMOUMCS-UZDIFWIKSA-J 03/01/2017 M00805 3-Hydroxyundecanoyl-ACP C11H21O2SR 0 03/01/2017 M00806 3-Hydroxyundecanoyl Coenzyme A C32H52N7O18P3S -4 JIOGXINZSOQEGE-ANHZDMDASA-J 03/01/2017 M00808 IV3-a-Neu5Ac-Lc4Cer ((Gal)2 (Glc)1 (GlcNAc)1 (Neu5Ac)1 (Cer)1) X 0 G00047 03/01/2017 M00819 3-Methoxy-4-Hydroxyphenylethyleneglycol C9H12O4 0 C05594 10805 FBWPWWWZWKPJFL-UHFFFAOYSA-N HMDB01490 03/01/2017 M00822 [3-Methyl-2-Oxobutanoate Dehydrogenase (2-Methylpropanoyl-Transferring)] C4H6N2O3R2 0 C04726 03/01/2017 M00823 [3-Methyl-2-Oxobutanoate Dehydrogenase (2-Methylpropanoyl-Transferring)] Phosphate C4H7N2O6PR2 0 C01308 03/01/2017 M00839 3-Oxo-11Cis-Docosenoyl Coenzyme A C43H70N7O18P3S -4 APIHVASDEGHJEQ-OVCNQHBTSA-J 03/01/2017 M00841 3-oxo-11-cis-octadecenoyl-CoA C39H62N7O18P3S -4 72551571 OUROWZUTGFHRJE-SAIINBSPSA-J HMDB0062361 03/01/2017 M00843 3-Oxo-13-Cis-Eicosenoyl Coenzyme A C41H66N7O18P3S -4 YOTWNHFOPMWWQA-VIJLPUGQSA-J 03/01/2017 M00849 3-Oxo-7-Hexadecenoyl Coenzyme A C37H58N7O18P3S -4 BUCIFQOXNYHEOO-YDGGZUKGSA-N 03/01/2017 M00852 3-Oxo-9-Cis-Eicosenoyl Coenzyme A C41H66N7O18P3S -4 YALOALOWOFBCTP-MDNSONPLSA-J 03/01/2017 M00860 3-Oxodocasa-Cis,Cis-13,16-Dienoyl Coenzyme A C43H68N7O18P3S -4 VNJQSRVXTRJVAZ-VFEFGGRMSA-J 03/01/2017 M00862 3-Oxo-Docosa-13,16,19-All-Cis-Trienoyl Coenzyme A C43H66N7O18P3S -4 UERYNYFAFQPKQI-TYDLXKLOSA-J 03/01/2017 M00869 3-Oxoeicosa-Cis,Cis,Cis-11,14,17-Trienoyl Coenzyme A C41H62N7O18P3S -4 03/01/2017 M00871 3-Oxo-Eicosadienoyl Coenzyme A C41H64N7O18P3S -4 03/01/2017 M00873 3-Oxoheneicosanoyl Coenzyme A C42H70N7O18P3S -4 VPEVFJQCFYQIIX-VPRYAHRDSA-N 03/01/2017 M00874 3-Oxoheptadecanoyl-ACP C17H31O2SR 0 03/01/2017 M00875 3-Oxoheptadecanoyl Coenzyme A C38H62N7O18P3S -4 YTOVZXHXGTWZRS-DUPKZGIXSA-J 03/01/2017 M00876 3-Oxoheptanoyl-ACP C7H11O2SR 0 03/01/2017 M00877 3-Oxoheptanoyl Coenzyme A C28H42N7O18P3S -4 FEXBJMLGPVUJAL-SVHODSNWSA-J 03/01/2017 M00879 3-Oxohexacosyl-CoA C47H78N7O18P3S -4 25271602 VOMUIFOBQMYJPJ-CPIGOPAHSA-N HMDB0060241 03/01/2017 M00885 3-Oxomyrist-5-Enoyl Coenzyme A C35H54N7O18P3S -4 KADPWMJVUVWQNK-MCZZQJTKSA-N 03/01/2017 M00887 3-Oxononadecanoyl Coenzyme A C40H66N7O18P3S -4 HKTHTTRMMCLXNS-ZOUGCNRJSA-N 03/01/2017 M00888 3-Oxononanoyl-ACP C9H15O2SR 0 03/01/2017 M00889 3-Oxononanoyl Coenzyme A C30H46N7O18P3S -4 RIPHVCNHAHVWBC-FUEUKBNZSA-J 03/01/2017 M00896 3-Oxopentadecanoyl-ACP C15H27O2SR 0 03/01/2017 M00897 3-Oxopentadecanoyl Coenzyme A C36H58N7O18P3S -4 HTAGSKVDMGVNFW-VTINEICCSA-J 03/01/2017 M00898 3-Oxopentanoyl-ACP C5H7O2SR 0 03/01/2017 M00899 3-Oxopentanoyl Coenzyme A C26H38N7O18P3S -4 WIOQNWTZBOQTEU-ZMHDXICWSA-J 03/01/2017 M00907 3-Oxotricosanoyl Coenzyme A C44H74N7O18P3S -4 ZSAHXMJCHNGTHV-IDCBOFBBSA-J 03/01/2017 M00908 3-Oxotridecanoyl-ACP C13H23O2SR 0 03/01/2017 M00909 3-Oxotridecanoyl Coenzyme A C34H54N7O18P3S -4 RPCRDEANMRLRDP-QYIUPXBKSA-J 03/01/2017 M00910 3-Oxoundecanoyl-ACP C11H19O2SR 0 03/01/2017 M00911 3-Oxoundecanoyl Coenzyme A C32H50N7O18P3S -4 QHTSGLOEFUUAFO-GRBGHKMPSA-J 03/01/2017 M00915 3-Phosphopolynucleotide C10H18O13P2R2(C5H8O6PR)n -2 C03463 03/01/2017 M00917 3-Succinoylpyridine C9H9NO3 0 C19569 437 JGSUNMCABQUBOY-UHFFFAOYSA-N HMDB00992 03/01/2017 M00927 4-(Methylnitrosamino)-1-(1-Oxido-3-Pyridinyl)-1-Butanone C10H13N3O3 0 C19602 156652 KRRWRVSPMYAJPF-UHFFFAOYSA-N HMDB0062375 03/01/2017 M00928 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol Glucuronide C16H23N3O8 0 C19605 183009 KNPUXTWHFSLCDT-BBYIEOQPSA-N HMDB0060383 03/01/2017 M00929 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol C10H15N3O2 0 C19574 OGRXKBUCZFFSTL-UHFFFAOYSA-N 03/01/2017 M00930 4-(Methylnitrosamino)-1-(3-Pyridyl-N-Oxide)-1-Butanol C10H15N3O3 0 C19603 150097 DKBKTKUNVONEGX-UHFFFAOYSA-N HMDB0041953 03/01/2017 M00931 4-(Nitrosoamino)-1-(3-Pyridinyl)-1-Butanone C9H11N3O2 0 C19564 53297438 NCSVUFYZLCBFKE-UHFFFAOYSA-N HMDB0062376 03/01/2017 M00932 4-(N-Nitrosomethylamino)-1-(3-Pyridyl)-1-Butanone C10H13N3O2 0 C16453 47289 FLAQQSHRLBFIEZ-UHFFFAOYSA-N HMDB0011603 03/01/2017 M00937 4,4-Dimethyl-14Alpha-Formyl-5Alpha-Cholesta-8,24-Dien-3Beta-Ol C30H48O2 0 PGGIMLIQOHYFIS-QCIVTXEGSA-N 03/01/2017 M00938 4,4-Dimethyl-14Alpha-Formyl-5Alpha-Cholest-8-En-3Beta-Ol C30H50O2 0 MKMLAQLNFVFNRK-QCIVTXEGSA-N 03/01/2017 M00939 4,4-Dimethyl-14Alpha-Hydroxymethyl-5Alpha-Cholesta-8,24-Dien-3Beta-Ol C30H50O2 0 DWVYYKFZEDMMPU-QCIVTXEGSA-N 03/01/2017 M00940 4,4-Dimethyl-14Alpha-Hydroxymethyl-5Alpha-Cholest-8-En-3Beta-Ol C30H52O2 0 SJPDNXKPBQHPMZ-QCIVTXEGSA-N 03/01/2017 M00942 4,4-Dimethyl-5Alpha-Cholesta-8,14-Dien-3Beta-Ol C29H48O 0 OGQJUYXFIOFTMA-HAJUTIECSA-N 03/01/2017 M00944 4,5-Dihydro-4-Hydroxy-5-S-Glutathionyl-Benzo[A]Pyrene C30H29N3O7S 0 C14855 11954068 PZXCOGFLSNREMF-SUZCJKPRSA-N HMDB0060391 03/01/2017 Xenobiotics metabolism M00951 4-[(Hydroxymethyl)Nitrosoamino]-1-(3-Pyridinyl)-1-Butanone C10H13N3O3 0 C19563 53297437 DADWKWOJOMSGPK-UHFFFAOYSA-N HMDB0062382 03/01/2017 M00954 4?-Carboxy-4?-Methyl-5?-Cholesta-8-En-3?-Ol C29H48O3 0 03/01/2017 M00955 4?-Carboxy-5?-Cholesta-8,24-Dien-3?-Ol C28H44O3 0 03/01/2017 M00956 4?-Carboxy-5?-Cholesta-8-En-3?-Ol C28H46O3 0 03/01/2017 M00957 4?-Formyl-4?-Methyl-5?-Cholesta-8,24-Dien-3?-Ol C29H46O2 0 03/01/2017 M00958 4?-Formyl-4?-Methyl-5?-Cholesta-8-En-3?-Ol C29H48O2 0 03/01/2017 M00959 4?-Formyl-5?-Cholesta-8,24-Dien-3?-Ol C28H44O2 0 03/01/2017 M00960 4Alpha-Formyl-5Alpha-Cholesta-8-En-3Beta-Ol C28H46O2 0 MHYWFGFPMGLYBL-NUESBDPTSA-N 03/01/2017 M00961 4?-Hydroxymethyl-4?-Methyl-5?-Cholesta-8,24-Dien-3?-Ol C29H48O2 0 03/01/2017 M00962 4?-Hydroxymethyl-4?-Methyl-5?-Cholesta-8-En-3?-Ol C29H50O2 0 03/01/2017 M00963 4?-Hydroxymethyl-5?-Cholesta-8,24-Dien-3?-Ol C28H46O2 0 03/01/2017 M00964 4Alpha-Hydroxymethyl-5Alpha-Cholesta-8-En-3Beta-Ol C28H48O2 0 UPEGTKGKNWDIAN-NUESBDPTSA-N 03/01/2017 M00966 4?-Methyl-5?-Cholesta-8-En-3-One C28H46O 0 03/01/2017 M00967 4?-Methyl-Cholesta-8-Enol C28H48O 0 03/01/2017 M00972 4-Bromo-3,5-Cyclohexadiene-1,2-Dione C6H3BrO2 0 C14846 11954065 LTHKZYVCVXHKLZ-UHFFFAOYSA-N HMDB0062395 03/01/2017 M00973 4-Bromocatechol C6H5BrO2 0 C14843 28487 AQVKHRQMAUJBBP-UHFFFAOYSA-N HMDB0062396 03/01/2017 M00974 4-Bromophenol C6H5BrO 0 C14453 7808 GZFGOTFRPZRKDS-UHFFFAOYSA-N HMDB0062397 03/01/2017 M00975 4-Bromophenol-2,3-Epoxide C6H5BrO2 0 C14845 11954064 NIXDKVLCYSTGRG-UHFFFAOYSA-N HMDB0062398 03/01/2017 M00976 4-Cholesten-7?,12?,24-Triol-3-One C27H44O4 0 JZKUXZQOULZTIJ-UAAHWPGTSA-N 03/01/2017 M00977 7Alpha,12Alpha,26-Trihydroxycholest-4-En-3-One C27H44O4 0 WOODKECARRKLJJ-ZARIYXLJSA-N 03/01/2017 M00978 7Alpha,24-Dihydroxycholest-4-En-3-One C27H44O3 0 LFFHZNXDGBQZCO-UMRBCMIASA-N 03/01/2017 M00979 7Alpha,26-Dihydroxycholest-4-En-3-One C27H44O3 0 KVJVJJWIEXCECB-NBOGDTNFSA-N 03/01/2017 M00985 4-Hydroxy-1-(3-Pyridinyl)-1-Butanone C9H11NO2 0 C19565 107819 KTXUGZHJVRHQGP-UHFFFAOYSA-N HMDB0062402 03/01/2017 M00992 4-Hydroxy-4-(Methylnitrosoamino)-1-(3-Pyridinyl)-1-Butanone C10H13N3O3 0 C19566 53297439 UIPLZNGNFRQXQE-UHFFFAOYSA-N HMDB0062404 03/01/2017 M01014 4-Methylpentan-1-Ol C6H14O 0 12296 PCWGTDULNUVNBN-UHFFFAOYSA-N HMDB0059889 03/01/2017 M01018 4-N-(N-Acetyl-D-Glucosaminyl)-Protein C13H20N4O8R2 0 C04375 03/01/2017 M01025 4-Oxo-1-(3-Pyridyl)-1-Butanone C9H9NO2 0 C19567 115084 CFONOJVUTZAMCB-UHFFFAOYSA-N HMDB0062406 03/01/2017 M01032 4-Oxoretinol C20H28O2 0 C16683 5289090 PLIUCYCUYQIBDZ-RMWYGNQTSA-N HMDB0012329 03/01/2017 M01035 5-(3-Pyridyl)-2-Hydroxytetrahydrofuran C9H11NO2 0 C19578 179630 LHGVLZHIYVKZBT-UHFFFAOYSA-N HMDB0062407 03/01/2017 M01036 5-(D-Galactosyloxy)-L-Lysine-Procollagen C13H23N3O8R2 0 C04487 03/01/2017 Glycosaminoglycan degradation M01051 5,6-Dihydroxy-8Z,11Z,14Z-Eicosatrienoic Acid C20H33O4 -1 GFNYAPAJUNPMGH-QNEBEIHSSA-N 03/01/2017 M01067 5Alpha-Cholesta-8,24-Dien-3-One C27H42O 0 AUNLIRXIJAVBNM-KHLBBVNMSA-N 03/01/2017 M01068 5Alpha-Cholest-8-En-3-One C27H44O 0 RZSXSHNNQBIPTL-KHLBBVNMSA-N 03/01/2017 M01075 Androst-5-Ene-3,17-Dione C19H26O2 0 C20252 160531 SQGZFRITSMYKRH-QAGGRKNESA-N HMDB0062415 03/01/2017 M01076 5Beta-Cholestan-3Alpha,7Alpha,12Alpha,24(S),27-Pentol C27H48O5 0 RQBUMNFWJTZAHT-AXDINSSZSA-N 03/01/2017 M01077 5Beta-Cholestan-3Alpha,7Alpha,12Alpha,24(S)-Tetrol C27H48O4 0 DOMPIYLJQFTRGI-OBEKCOGISA-N 03/01/2017 M01079 5Beta-Cholestane-3Alpha,7Alpha,24,26-Tetrol C27H48O4 0 KOHAQNVGTABZFS-MWDRPLOESA-N 03/01/2017 M01080 5Beta-Cholestane-3Alpha,7Alpha,24-Triol C27H48O3 0 VDKSIHRRZLCAGD-QSPFNZPBSA-N 03/01/2017 M01081 7Alpha,24-Dihydroxy-5Beta-Cholestan-3-One C27H46O4 0 OESDJUYDQFBVDE-LZOBUZKPSA-N 03/01/2017 M01082 5Beta-Cholestan-7Alpha,12Alpha,27-Triol-3-One C27H46O4 0 UCVRZTRGVBWBPR-SSGCBCEYSA-N 03/01/2017 M01083 7Alpha,24Alpha-Dihydroxy-5Beta-Cholestan-3-One C27H46O3 0 FGKQZAUZOBFLBY-MZBFGYQPSA-N 03/01/2017 M01084 7Alpha,26-Dihydroxy-5Beta-Cholestan-3-One C27H46O3 0 HXGWUGDCIVSGLK-DHWIBLRGSA-N 03/01/2017 M01092 5Beta-Cholestane-3Alpha,7Alpha,12Alpha,27-Tetraol C27H48O4 0 C05446 193321 XJZGNVBLVFOSKJ-FXTKQEBRSA-N HMDB01231 03/01/2017 M01094 5Beta-Cholestane-3Alpha,7Alpha,27-Triol C27H48O3 0 03/01/2017 M01111 5-L-Gamma-Glutamyl Amino Acid C5H7NO3 0 03/01/2017 M01114 5-Methyltetrahydropteroyltri-L-Glutamate C30H39N9O12 0 C04489 16722111 HVRNKDVLFAVCJF-VJANTYMQSA-N HMDB0012177 03/01/2017 M01128 5-Oxoprolyl-Peptide C7H9N2O4R(C2H2NOR)n 0 C02805 03/01/2017 M01129 5-Phosphopolynucleotide C10H16O13P2R2(C5H8O6PR)n -2 C03475 03/01/2017 M01141 5Z-tetradecenoyl-CoA C35H56N7O17P3S -4 70679011 MRVDZOHJMLTLHJ-STFCKWFXSA-N HMDB0062426 03/01/2017 M01142 6-(Alpha-D-Glucosaminyl)-1D-Myo-Inositol C12H23NO10 0 C15658 HEPUIGACZYVUCD-YZRQSVRMSA-N HMDB0011668 03/01/2017 M01156 6-[2,3-Dihydroxy-1-(Hydroxymethyl)Propyl]-1,2-Dihydro-7-Hydroxy-9-Methoxy-Cyclopenta[C][1]Benzopyran-3,4-Dione C17H18O8 0 C19590 53297445 OKGOPKLFGPTQFQ-UHFFFAOYSA-N HMDB0062427 03/01/2017 M01165 6-Methoxy-3-Methyl-2-All-Trans-Decaprenyl-1,4-Benzoquinol C58H92O3 0 50986092 XCOXSBLQZPFVGK-RGIWONJESA-N HMDB0062428 03/01/2017 M01166 6-Methylmercaptopurine C6H6N4S 0 C16614 UIJIQXGRFSPYQW-UHFFFAOYSA-N HMDB0060412 03/01/2017 M01167 6-Ketoprostaglandin E1 C20H31O6 -1 C05962 5280889 ROUDCKODIMKLNO-CTBSXBMHSA-N HMDB04241 03/01/2017 M01173 7,12-Dimethylbenz[A]Anthracene 5,6-Oxide C20H16O 0 C19604 HVGNLIKFFBYBQM-UHFFFAOYSA-N 03/01/2017 M01175 7,8-Dihydro-7-Hydroxy-8-S-Glutathionyl-Benzo[A]Pyrene C30H29N3O7S 0 C14856 11954069 GODDWIDSELPRPA-QMIJOYDGSA-N HMDB0060423 03/01/2017 Xenobiotics metabolism M01179 7Alpha,25-Dihydroxycholest-4-En-3-One C27H44O3 0 POUKDTOWHPHYQU-VVPMNMHNSA-N 03/01/2017 M01184 3Beta,7Alpha-Dihydroxy-5-Pregnen-20-One C21H32O3 0 C18038 UEWNVBNIVGLQPG-ZJLPPWEESA-N 03/01/2017 M01191 7Z-Hexadecenoyl Coenzyme A C37H60N7O17P3S -4 MJWMOLDKMBISOB-YDGGZUKGSA-N 03/01/2017 M01195 7-Hydroxymethyl-12-Methylbenz[A]Anthracene Sulfate C20H16O4S 0 WYUDBEMLROEPHR-UHFFFAOYSA-N HMDB0060420 03/01/2017 M01196 7-Hydroxymethyl-12-Methylbenz[A]Anthracene C20H16O 0 JCBBZYDVQJQMMB-UHFFFAOYSA-N HMDB0060419 03/01/2017 M01197 (E)-6-Hexadecenoic acid C16H29O2 -1 5282744 NNNVXFKZMRGJPM-ZHACJKMWSA-N HMDB0031053 03/01/2017 M01202 8S-Hydroxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 NLUNAYAEIJYXRB-GTYUHVKWSA-N 03/01/2017 M01203 8S-Hydoperoxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid C20H31O4 -1 QQUFCXFFOZDXLA-GTYUHVKWSA-N 03/01/2017 M01207 8Z,11Z-Eicosadienoic Acid C20H35O2 -1 XUJWOMMOEOHPFP-OKLKQMLOSA-N 03/01/2017 M01208 8,9-Dihydroxy-5Z,11Z,14Z-Eicosatrienoic Acid C20H33O4 -1 DCJBINATHQHPKO-TYAUOURKSA-N 03/01/2017 M01213 8-Hydroxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 NLUNAYAEIJYXRB-HEJOTXCHSA-N 03/01/2017 M01217 9(S)-HPODE C18H31O4 -1 C14827 6439847 JGUNZIWGNMQSBM-WXUVIADPSA-N HMDB06940 03/01/2017 M01235 9Z-eicosenoic acid C20H37O2 -1 5282767 LQJBNNIYVWPHFW-QXMHVHEDSA-N HMDB0062436 03/01/2017 M01236 9Z-Eicosenoyl Coenzyme A C41H68N7O17P3S -4 AHAHBDQMALBXGS-BUHFOSPRSA-J 03/01/2017 M01237 9Z-Heptadecenoyl Coenzyme A C38H62N7O17P3S -4 QVENOJALUCULON-VYZXCZBTSA-J 03/01/2017 M01238 (Z)-9-Heptadecenoic acid C17H31O2 -1 C16536 5312440 QSBYPNXLFMSGKH-HJWRWDBZSA-N HMDB0031046 03/01/2017 M01239 9-Hydroxy-5Z,7E,11Z,14Z-Eicosatetraenoic Acid C20H31O3 -1 KATOYYZUTNAWSA-OIZRIKEUSA-N 03/01/2017 M01241 9-Hydroxybenzo[A]Pyrene C20H12O 0 C14556 28598 OBBBXCAFTKLFGZ-UHFFFAOYSA-N HMDB0062438 03/01/2017 M01242 9-Hydroxybenzo[A]Pyrene-4,5-Oxide C20H12O2 0 C14854 115064 QMJJLPWCBGOGAF-UHFFFAOYSA-N HMDB0062439 03/01/2017 M01251 Acetanilide C8H9NO 0 C07565 904 FZERHIULMFGESH-UHFFFAOYSA-N HMDB01250 03/01/2017 M01268 Activation-PPARA X 0 03/01/2017 M01281 Adenylyl-molybdopterin C20H24N10O12P2S2 -2 C19848 53356705 XJXFAXLUOKQPAQ-KSWVXEEXSA-L HMDB0059628 03/01/2017 M01294 Aflatoxin B1 Dialdehyde C16H12O9 0 C19589 MTRNKJQPSSVUEH-UHFFFAOYSA-N 03/01/2017 M01295 Aflatoxin B1 diol C17H14O8 0 C19588 3035008 JRZBEIPOZPNWID-KFZJALRRSA-N HMDB0060430 03/01/2017 M01297 Aflatoxin B1-Endo-8,9-Epoxide C17H12O7 0 C19595 KHBXRZGALJGBPA-CBPVBMDVSA-N 03/01/2017 M01299 Aflatoxin B1Exo-8,9-Epoxide-Gsh C27H29N3O13S 0 C11278 5460816 LYDBAPNRLUDIAS-NCQSKUNESA-N HMDB0060431 03/01/2017 M01300 Aflatoxin M1 C17H12O7 0 C16756 15558498 MJBWDEQAUQTVKK-ZYMOGRSISA-N HMDB0030479 03/01/2017 M01301 Aflatoxin-M1-8,9-Epoxide C17H12O8 0 C19594 XRWIIRKFSUFIPZ-PJGMDSASSA-N 03/01/2017 M01302 Aflatoxin Q1 C17H12O7 0 C19585 GYNOTJLCULOEIM-BYTGAFBZSA-N 03/01/2017 M01310 Alkylamine NH2R 0 C01664 03/01/2017 M01317 Alpha-Tubulin C11H13N2O4R(C2H2NOR)n 0 C01392 03/01/2017 M01318 Alpha-(1,2-Dihydroxyethyl)-1,2,3,4-Tetrahydro-7-Hydroxy-9-Methoxy-3,4-Dioxocyclopenta[C][1]Benzopyran-6-Acetaldehyde C17H16O8 0 C19592 53297447 PRZJYJAOZVCBCB-UHFFFAOYSA-N HMDB0062442 03/01/2017 M01319 Alpha-[3-(Nitrosoamino)Propyl]-3-Pyridinemethanol C9H13N3O2 0 C19581 53297442 QCCXEQGBFPINIY-UHFFFAOYSA-N HMDB0062443 03/01/2017 M01320 Alpha-[3-[(Hydroxymethyl)Nitrosoamino]Propyl]-3-Pyridinemethanol C10H15N3O3 0 C19580 53297441 UNFLQLWCJOTOPA-UHFFFAOYSA-N HMDB0062444 03/01/2017 M01341 Aniline C6H7N C6H7N 0 C00292 6115 PAYRUJLWNCNPSJ-UHFFFAOYSA-N HMDB03012 25/04/2016 Aminobenzoate degradation M01352 ApoB48 X 0 03/01/2017 M01358 Apocytochrome-C X 0 C02248 03/01/2017 M01360 Diadenosine triphosphate C20H24N10O16P3 -3 C06197 14464643 QCICUPZZLIQAPA-XPWFQUROSA-N HMDB01155 03/01/2017 M01367 Arsenite AsO3 0 C06697 544 GCPXMJHSNVMWNM-UHFFFAOYSA-N HMDB0011620 03/01/2017 M01374 Benzpyrene C20H12 0 03/01/2017 M01375 Benzo[A]Pyrene-4,5-Oxide C20H12O 0 03/01/2017 M01376 Benzo[A]Pyrene-7,8-Dihydrodiol-9,10-Oxide C20H14O3 0 C14853 41322 DQEPMTIXHXSFOR-UHFFFAOYSA-N HMDB0062470 03/01/2017 M01377 Benzo[A]Pyrene-7,8-Diol C20H14O2 0 C14852 YDXRLMMGARHIIC-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M01378 Benzo[A]Pyrene-7,8-Oxide C20H12O 0 C14850 OLLMQFHYRYHKTD-UHFFFAOYSA-N 03/01/2017 M01379 Benzo[A]Pyrene-9,10-Oxide C20H12O 0 03/01/2017 M01388 Beta-D-Glucose C6H12O6 0 C00221 64689 WQZGKKKJIJFFOK-VFUOTHLCSA-N HMDB00516 03/01/2017 M01389 Beta-D-Glucose-6-Phosphate C6H11O9P -2 C01172 NBSCHQHZLSJFNQ-VFUOTHLCSA-N 03/01/2017 M01403 Bromobenzene C6H5Br 0 C11036 QARVLSVVCXYDNA-UHFFFAOYSA-N 03/01/2017 M01404 Bromobenzene-2,3-Dihydrodiol C6H7BrO2 0 C14842 KLPGXZKAVBGFGF-UHFFFAOYSA-N 03/01/2017 M01405 Bromobenzene-2,3-Oxide C6H5BrO 0 C14840 RLBVUCNBWFGERE-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M01406 Bromobenzene-3,4-Dihydrodiol C6H7BrO2 0 C14844 MWJZOLXUCNEWFL-UHFFFAOYSA-N 03/01/2017 M01407 Bromobenzene-3,4-Oxide C6H5BrO 0 C14839 FVTNDWDQRAAPCD-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M01408 Bufotenine C12H16N2O 0 C08299 10257 VTTONGPRPXSUTJ-UHFFFAOYSA-N HMDB0041842 03/01/2017 M01422 Carboxybiotin-Carboxyl-Carrier C18H26N5O6SR2 0 03/01/2017 M01429 CDP-glycerol C12H19N3O13P2 -2 C00513 439249 HHPOUCCVONEPRK-JANFQQFMSA-N HMDB0059599 03/01/2017 M01436 Chitin(N-1) X 0 C00461 21252321 DJHJJVWPFGHIPH-OODMECLYSA-N HMDB03362 03/01/2017 M01437 Chitin C24H41N3O16 0 C00461 WZZVUHWLNMNWLW-VFCSDQTKSA-N 03/01/2017 M01440 Chloral Hydrate C2H3Cl3O2 0 D00265 RNFNDJAIBTYOQL-UHFFFAOYSA-N HMDB0060451 03/01/2017 Xenobiotics metabolism M01441 Chloral C2HCl3O 0 C14866 HFFLGKNGCAIQMO-UHFFFAOYSA-N 03/01/2017 M01443 Chloroacetic acid C2H2ClO2 -1 C06755 300 FOCAUTSVDIKZOP-UHFFFAOYSA-N HMDB0031331 03/01/2017 M01444 Chloroacetyl Chloride C2H2Cl2O 0 VGCXGMAHQTYDJK-UHFFFAOYSA-N HMDB0060452 03/01/2017 Xenobiotics metabolism M01452 Cholesterol-Ester-10,13,16,19-Docosa C49H80O2 0 03/01/2017 M01453 Cholesterol-Ester-10,13,16-Docosa C49H82O2 0 03/01/2017 M01454 Cholest-5-En-3B-Yl (9Z-Heptadecenoate) C44H76O2 0 RLMIGWIAENJHMP-QCDKZCCBSA-N 03/01/2017 M01455 Cholesterol-Ester-11,14,17-Eico C47H78O2 0 03/01/2017 M01456 Cholest-5-En-3Beta-Yl (11Z,14Z-Eicosadienoate) C47H80O2 0 REFJKOQDWJELKE-KAARQWTISA-N 03/01/2017 M01457 Cholesterol-Ester-11-Docose C49H86O2 0 03/01/2017 M01458 Cholest-5-En-3Beta-Yl (11Z-Eicosenoate) C47H82O2 0 OWTYWMJVQZQWFH-XRXACULUSA-N 03/01/2017 M01459 Cholesterol-Ester-12,15,18,21-Tetracosa C51H84O2 0 03/01/2017 M01460 Cholesterol-Ester-13,16,19-Doco C49H82O2 0 03/01/2017 M01461 Cholest-5-En-3Beta-Yl (13Z,16Z-Docosadienoate) C49H84O2 0 YSGVSTJGBYXXIM-OADMCVHHSA-N 03/01/2017 M01462 Cholest-5-En-3B-Yl (13Z-Docosenoate) C49H86O2 0 SQHUGNAFKZZXOT-SYVNVMAFSA-N 03/01/2017 M01463 Cholesterol-Ester-13-Eicose C47H82O2 0 03/01/2017 M01464 Cholesterol-Ester-13-Octade C45H78O2 0 03/01/2017 M01465 Cholest-5-En-3Beta-Yl (15Z-Tetracosenoate) C51H90O2 0 XLEGDTNGSMQNCH-KOBNUYNVSA-N 03/01/2017 M01466 Cholest-5-En-3Beta-Yl (4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoate) C49H76O2 0 VOEVEGPMRIYYKC-NDAJWKLDSA-N 03/01/2017 M01467 Cholesterol-Ester-4,7,10,13,16-Docosa C49H78O2 0 03/01/2017 M01468 Cholest-5-En-3Beta-Yl (5Z,8Z,11Z,14Z,17Z-Eicosapentaenoate) C47H74O2 0 XZFUGMCJZFRBKF-IPAAXNRLSA-N 03/01/2017 M01469 Cholesterol-Ester-5,8,11-Eico C47H78O2 0 03/01/2017 M01470 Cholesterol-Ester-5-Tetra C41H70O2 0 03/01/2017 M01471 Cholesterol-Ester-6,9,12,15,18,21-Tetra C51H80O2 0 03/01/2017 M01472 Cholesterol-Ester-6,9,12,15,18-Tetraco C51H82O2 0 03/01/2017 M01473 Cholesterol-Ester-6,9,12,15-Octa C45H72O2 0 03/01/2017 M01474 Cholesterol-Ester-6,9-Octa C45H76O2 0 03/01/2017 M01475 Cholest-5-En-3Beta-Yl (7Z,10Z,13Z,16Z,19Z-Docosapentaenoate) C49H78O2 0 XOLZNHXNFMEUGA-HJTXNHSISA-N 03/01/2017 M01476 Cholest-5-En-3Beta-Yl (7Z,10Z,13Z,16Z-Docosatetraenoate) C49H80O2 0 ITGTXSFLBABXQA-POXSIMSXSA-N 03/01/2017 M01477 Cholesterol-Ester-7-Hexa C43H74O2 0 03/01/2017 M01478 Cholesterol-Ester-7-Octade C45H78O2 0 03/01/2017 M01479 Cholesterol-Ester-7-Tetrade C41H70O2 0 03/01/2017 M01480 Cholesterol-Ester-8,11,14,17-Eico C47H76O2 0 03/01/2017 M01481 Cholesterol-Ester-8,11-Eico C47H80O2 0 03/01/2017 M01482 Cholesterol-Ester-9,12,15,18,21-Tetra C51H82O2 0 03/01/2017 M01483 Cholesterol-Ester-9,12,15,18-Tetraco C51H84O2 0 03/01/2017 M01484 Cholesterol-Ester-9-Eicose C47H82O2 0 03/01/2017 M01485 Cholesterol-Ester-9-Heptade C44H76O2 0 03/01/2017 M01486 Cholesterol-Ester-9-Octa C45H78O2 0 03/01/2017 M01487 Cholest-5-En-3B-Yl (9Z-Tetradecenoate) C41H70O2 0 LAMGDJMPDNVWTB-IDCLFADGSA-N 03/01/2017 M01489 Cholesterol-Ester-Cis-Vac C45H78O2 0 03/01/2017 M01490 Cholest-5-En-3Beta-Yl (8Z,11Z,14Z-Eicosatrienoate) C47H78O2 0 MLPRJPSMAFZPLA-JNFNQHOJSA-N 03/01/2017 M01491 Cholest-5-En-3Beta-Yl Docosanoate C49H88O2 0 WBOQXYUYHINMOC-PLTNPMELSA-N 03/01/2017 M01492 Cholest-5-En-3Beta-Yl Eicosanoate C47H84O2 0 SUOVMGLZSOAHJY-JIJPKQANSA-N 03/01/2017 M01494 Cholesterol-Ester-Heneico C48H86O2 0 03/01/2017 M01495 Cholest-5-En-3B-Yl (Heptadecanoate) C44H78O2 0 PPQNZVDOBYGOLY-IDEYQIFESA-N 03/01/2017 M01496 Cholesterol-Ester-Hexacosa C53H96O2 0 03/01/2017 M01497 Cholesterol-Ester-Hexecose C53H94O2 0 03/01/2017 M01498 Cholest-5-En-3Beta-Yl Dodecanoate C39H68O2 0 RMLFYKFCGMSLTB-QLDQVJAASA-N 03/01/2017 M01501 Cholest-5-En-3Beta-Yl Tetradecanoate C41H72O2 0 SJDMTGSQPOFVLR-GPMIBHMRSA-N 03/01/2017 M01502 Cholest-5-En-3Beta-Yl Nonadecanoate C46H82O2 0 VHYWECIJXTVRSG-ULEWGYFJSA-N 03/01/2017 M01506 Cholest-5-En-3B-Yl (Pentadecanoate) C42H74O2 0 BDBPUUADYAQHAV-KVPIZGMFSA-N 03/01/2017 M01508 Cholesterol-Ester-Tetraco C51H92O2 0 03/01/2017 M01509 Cholesterol-Ester-Trico C50H90O2 0 03/01/2017 M01510 Cholesterol-Ester-Tridec C40H70O2 0 03/01/2017 M01511 Cholesterol-Star C27H46O 0 C00187 5997 HVYWMOMLDIMFJA-DPAQBDIFSA-N HMDB0062453 03/01/2017 M01569 Chylomicron-Remnant X 0 03/01/2017 M01570 Chylomicron X 0 03/01/2017 M01571 Cimetidine C10H16N6S 0 C06952 2756 AQIXAKUUQRKLND-UHFFFAOYSA-N HMDB0014644 03/01/2017 M01572 Cinnavalininate C14H6N2O6 -2 C05640 114918 FSBKJYLVDRVPTK-UHFFFAOYSA-N HMDB04078 03/01/2017 Tryptophan metabolism M01573 Cis-(3S)-Hydroxytetradec-5-Enoyl Coenzyme A C35H56N7O18P3S -4 KJJPUIFALMAQPF-SUAKZGBESA-N 03/01/2017 M01582 Cetoleic acid C22H41O2 -1 5282771 KJDZDTDNIULJBE-QXMHVHEDSA-N HMDB02884 03/01/2017 M01602 Cofactors And Vitamins X 0 03/01/2017 M01618 Cyclic pyranopterin monophosphate C10H13N5O8P -1 C18239 16061579 CZAKJJUNKNPTTO-UHFFFAOYSA-N HMDB0059639 03/01/2017 M01624 Cu2+ Cu 0 03/01/2017 M01631 Cytochrome-C C42H44FeN8O8S2R4 0 C00524 03/01/2017 M01676 Detyrosinated-Alpha-Tubulin C2H4NO2R(C2H2NOR)n 0 C05234 03/01/2017 M01677 Dextrin(N-1) X 0 C00721 62698 FYGDTMLNYKFZSV-MRCIVHHJSA-N HMDB06857 03/01/2017 M01678 Dextrin (Recon3D) C18H32O16 0 C00721 FYGDTMLNYKFZSV-MRCIVHHJSA-N 03/01/2017 M01691 Dichloroacetate C2H1Cl2O2 -1 C11149 JXTHNDFMNIQAHM-UHFFFAOYSA-N 03/01/2017 M01692 Dichloroacetyl Chloride C2HCl3O 0 C14867 FBCCMZVIWNDFMO-UHFFFAOYSA-N 03/01/2017 M01707 Dimethylamine C2H7N 0 03/01/2017 M01710 Diphospho-Myo-Inositol-Polyphosphate X 0 C11524 03/01/2017 M01719 Dna-Containing-6-O-Methylguanine C11H16N5O7P(C5H8O5PR)n(C5H8O5PR)n 0 C04250 03/01/2017 Miscellaneous M01720 Dna-Containing-Guanine C10H14N5O7P(C5H8O5PR)n(C5H8O5PR)n 0 C11475 03/01/2017 Miscellaneous M01724 Docosanoylcarnitine C29H57NO4 0 IUMXSSOVGPXXJL-UHFFFAOYSA-N 03/01/2017 M01726 Docosenoylcarnitine(11) C29H55NO4 0 NLQWXKWLWHLPMC-PFONDFGASA-N 03/01/2017 M01727 Docosenoylcarnitine C29H55NO4 0 WDWXOVLPQSTGNY-SEYXRHQNSA-N 03/01/2017 M01729 Dodecanoylcarnitine C19H37NO4 0 168381 FUJLYHJROOYKRA-QGZVFWFLSA-N HMDB02250 03/01/2017 M01750 dTDP-D-galactose C16H24N2O16P2 -2 C02097 439651 YSYKRGRSMLTJNL-OAOVJFGZSA-N HMDB06876 03/01/2017 M01757 D-Xylonolactone C5H8O5 0 C02266 439692 XXBSUZSONOQQGK-FLRLBIABSA-N HMDB0011676 03/01/2017 M01770 11Z,14Z-Eicosadienoylcarnitine C27H49NO4 0 OLZWDVKTOGTVLC-UTJQPWESSA-N 03/01/2017 M01775 Eicosenoylcarnitine(11) C27H51NO4 0 PVOQPLSKYNZHOT-SEYXRHQNSA-N 03/01/2017 M01776 Eicosenoylcarnitine(7) C27H51NO4 0 PPKLJJUNSDETFW-MSUUIHNZSA-N 03/01/2017 M01777 Eicosenoylcarnitine(9) C27H51NO4 0 JBEFEJXBJYXSLO-PFONDFGASA-N 03/01/2017 M01805 Farnesylcysteine C18H31NO2S 0 C19691 6438372 SYSLNQMKLROGCL-BCYUYYMPSA-N HMDB0011627 03/01/2017 M01807 Fatty-Acid-Chylomicron-Pool CHO2R 0 03/01/2017 M01816 Fatty-Acid-Ligands that activate PPAR-Alpha X 0 03/01/2017 M01819 Fatty-Acid-Uptake-Pool CHO2R 0 C00162 03/01/2017 M01820 Fatty-Acid-VLDL-Pool CHO2R 0 C00162 03/01/2017 M01838 Formyl-L-Methionyl-Peptide C12H17N4O6SR3 0 C11439 03/01/2017 M01849 IV3-a-Neu5Ac,III4-a-Fuc-Lc4Cer ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Neu5Ac)1 (Cer)1) X 0 G00048 03/01/2017 M01860 Lea glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1) C50H89N2O26FULLRCO 0 G00046 03/01/2017 M01864 G(5)Pppr-Rna C20H31N5O23P4R2(C5H8O6PR)n 0 C02031 03/01/2017 M01865 (GlcNAc)2 (Man)3 (PP-Dol)1 X 0 G00005 03/01/2017 M01867 (GlcNAc)2 (Man)9 (PP-Dol)1 X 0 G00007 03/01/2017 M01868 (GlcNAc)5 (Man)3 (Asn)1 X 0 03/01/2017 M01869 (GlcNAc)6 (Man)3 (Asn)1 C82H135N8O55 0 G00021 03/01/2017 M01870 (GlcNAc)7 (Man)3 (Asn)1 C90H148N9O60 0 G00022 03/01/2017 M01871 (GalNAc)1 (GlcNAc)1 (Ser/Thr)1 X 0 G00031 03/01/2017 M01872 (Gal)1 (GalNAc)1 (GlcNAc)1 (Ser/Thr)1 X 0 G00032 03/01/2017 M01873 (Gal)3 (Glc)1 (GlcNAc)1 (Cer)1 X 0 03/01/2017 M01874 (Gal)3 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1 X 0 03/01/2017 M01876 (Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1 X 0 03/01/2017 M01877 (Gal)3 (GalNAc)1 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1 X 0 03/01/2017 M01878 (Gal)4 (GalNAc)1 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1 X 0 03/01/2017 M01879 (Gal)4 (GalNAc)1 (Glc)1 (GlcNAc)2 (LFuc)2 (Cer)1 X 0 03/01/2017 M01881 (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 X 0 G00079 03/01/2017 M01882 (Gal)3 (Glc)1 (GlcNAc)2 (LFuc)2 (Cer)1 X 0 03/01/2017 M01883 (Gal)3 (Glc)1 (GlcNAc)2 (LFuc)3 (Cer)1 X 0 03/01/2017 M01884 (Gal)4 (Glc)1 (GlcNAc)2 (LFuc)1 (Cer)1 X 0 03/01/2017 M01885 (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)1 (Cer)1 X 0 03/01/2017 M01886 (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 X 0 G00085 03/01/2017 M01887 (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)3 (Cer)1 X 0 03/01/2017 M01895 (GlcNAc)2 (Man)4 (PP-Dol)1 X 0 G10526 03/01/2017 M01896 (GlcNAc)2 (Man)6 (PP-Dol)1 X 0 G10595 03/01/2017 M01897 (GlcNAc)2 (Man)7 (PP-Dol)1 X 0 G10596 03/01/2017 M01898 (GlcNAc)2 (Man)8 (PP-Dol)1 X 0 G10597 03/01/2017 M01929 4-Hydroxy-4-(3-pyridyl)-butanoic acid C9H10NO3 -1 C19579 438 STZOZPPVGWNSMC-UHFFFAOYSA-N HMDB01119 03/01/2017 M01938 Gama-Tocotrienol C28H42O2 0 C14155 5282349 OTXNTMVVOOBZCV-WAZJVIJMSA-N HMDB0012958 03/01/2017 M01957 Globin C57H88O2 0 C06258 03/01/2017 M01958 Globo-H ((Gal)3 (GalNAc)1 (Glc)1 (LFuc)1 (Cer)1) X 0 G00099 03/01/2017 M01966 Alpha-D-Glucose 1,6-bisphosphate C6H14O12P2 C6H11O12P2 -3 C01231 82400 CHEBI:18148 RWHOZGRAXYWRNX-QYESYBIKSA-K HMDB03514 22/04/2016 Starch and sucrose metabolism M01978 Glutathione episulfonium ion C12H18N3O6S -2 C14874 159079 PWVNIRRYQGQWMG-YUMQZZPRSA-O HMDB0060479 03/01/2017 Xenobiotics metabolism M01989 Glycodeoxycholic Acid C26H43NO5 0 C05464 22833539 CHEBI:27471 WVULKSPCQVQLCU-CMWIOBKGSA-N HMDB00631 03/01/2017 Bile acid metabolism M01995 Glycogenin-G8 C58H90N2O43R2 0 03/01/2017 M02002 Glycoprotein-N-Acetyl-D-Glucosaminyl-Phospho-D-Mannose C14H25NO14PR 0 C04755 03/01/2017 M02003 Glycoprotein-Phospho-D-Mannose C6H12O9PR 0 C04010 03/01/2017 M02005 Glycylpeptide C2H5NO2(C2H2NOR)n 0 C02038 03/01/2017 M02006 Glycyl-tRNA(Gly) C12H20NO11PR2(C5H8O6PR)n 0 C02412 03/01/2017 M02012 Gm2A X 0 03/01/2017 M02013 Gm2A:Gm2-Ganglioside C50H86N3O26R 0 03/01/2017 M02017 1-(1Z-Hexadecenyl)-Glycero-3-Phosphate C19H37O6P -2 LBGSRVIXIVDRQM-BDEQVGPYSA-N 03/01/2017 M02035 Guanidine CH5N3 0 C17349 3520 ZRALSGWEFCBTJO-UHFFFAOYSA-N HMDB01842 03/01/2017 M02047 HDL-Remnant (High-Density Lipoprotein) X 0 03/01/2017 M02048 HDL (High-Density Lipoprotein) X 0 03/01/2017 M02050 Hemoglobin X 0 C01708 03/01/2017 M02051 Heneicosanoylcarnitine C28H55NO4 0 DZUIUBMZQFPGGK-UHFFFAOYSA-N 03/01/2017 M02052 Heneicosanoyl Coenzyme A C42H72N7O17P3S -4 XMBMBMSJLOFTBI-UHFFFAOYSA-J 03/01/2017 M02053 Heneicosanoic acid C21H41O2 -1 16898 CKDDRHZIAZRDBW-UHFFFAOYSA-N HMDB02345 03/01/2017 M02098 10-Hydroxy-11S,12S-Epoxy-5Z,8Z,14Z-Eicosatrienoic Acid C20H31O4 -1 DWNBPRRXEVJMPO-OLCCVTJXSA-N 03/01/2017 M02099 Heptadecanoyl-ACP C17H33OSR 0 03/01/2017 M02102 Heptadecenoylcarnitine(7) C24H45NO4 0 FJSIIGPPYZJEHW-JOCHJYFZSA-N 03/01/2017 M02103 Heptadecenoylcarnitine(8) C24H45NO4 0 PSUWSDKRQCJVRB-JOCHJYFZSA-N 03/01/2017 M02106 Heptanoyl-ACP C7H13OSR 0 03/01/2017 M02107 Heptanoyl-CoA C28H44N7O17P3S -4 53481563 CHVYGJMBUXUTSX-SVHODSNWSA-N HMDB0012969 03/01/2017 M02108 Heptanoic acid C7H13O2 -1 C17714 8094 MNWFXJYAOYHMED-UHFFFAOYSA-N HMDB00666 03/01/2017 M02111 17Z-Hexacosenoylcarnitine C33H63NO4 0 DRURVCJENMPVTE-SEYXRHQNSA-N 03/01/2017 M02112 17Z-Hexacosenoyl Coenzyme A C47H80N7O17P3S -4 JVXVVYLDZADSQX-UNLUTKPOSA-N 03/01/2017 M02114 Hexadecanol C16H34O 0 C00823 2682 BXWNKGSJHAJOGX-UHFFFAOYSA-N HMDB03424 03/01/2017 M02120 Hexanoic Acid X 0 03/01/2017 M02127 Histone-L-Lysine C7H13N3O2R2 0 C02415 03/01/2017 Miscellaneous M02128 Histone-N6-Acetyl-L-Lysine C9H15N3O3R2 0 C01997 03/01/2017 Miscellaneous M02143 Hydrobromic Acid Br -1 C13645 260 CPELXLSAUQHCOX-UHFFFAOYSA-N 03/01/2017 Xenobiotics metabolism M02144 Hydrochloric Acid HCl 0 C01327 313 VEXZGXHMUGYJMC-UHFFFAOYSA-N HMDB02306 03/01/2017 Atrazine degradation M02146 I(-) I -1 C05590 24841 XMBWDFGMSWQBCA-UHFFFAOYSA-N HMDB0059634 03/01/2017 M02155 Hyodesoxycholic Acid C24H40O4 0 C15517 DGABKXLVXPYZII-STRLVTDASA-N 03/01/2017 Bile acid synthesis M02162 Ley glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1) X 0 G00056 03/01/2017 M02163 Lacto-N-fucopentaosyl III ceramide ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1) X 0 G00060 03/01/2017 M02186 Lactoisooctaosylceramide ((Gal)4 (Glc)1 (GlcNAc)3 (Cer)1) X 0 G00078 03/01/2017 M02194 Leb glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1) X 0 G00045 03/01/2017 M02195 Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1Cer C50H89N2O26FULLRCO 0 C06131 03/01/2017 M02196 Type IIH glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1) X 0 G00055 03/01/2017 M02197 N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide C53H92N3O28R 0 C04925 03/01/2017 M02335 L-Alanyl-tRNA(Ala) C13H22NO11PR2(C5H8O6PR)n 0 C00886 03/01/2017 M02339 L-Arginyl-Protein C8H16N5O3R(C2H2NOR)n 0 C16739 03/01/2017 Others M02340 L-Arginyl-tRNA(Arg) C21H33N9O11PR(C5H8O6PR)n 0 C02163 03/01/2017 M02341 L-Asparaginyl-tRNA(Asn) C14H23N2O12PR2(C5H8O6PR)n 0 C03402 03/01/2017 M02342 L-Aspartyl-tRNA(Asp) C14H22NO13PR2(C5H8O6PR)n 0 C02984 03/01/2017 M02351 L-Cysteinyl-tRNA(Cys) C18H26N6O11PSR(C5H8O6PR)n 0 C03125 03/01/2017 M02352 LDL-Remnant (Low-Density Lipoprotein) X 0 03/01/2017 M02353 LDL (Low-Density Lipoprotein) X 0 03/01/2017 M02375 L-Glutaminyl-Peptide C7H12N3O4R(C2H2NOR)n 0 C02986 03/01/2017 M02376 Glutaminyl-tRNA C20H29N7O12PR(C5H8O6PR)n 0 C02282 03/01/2017 M02377 L-Glutamyl-tRNA(Glu) C20H28N6O13PR(C5H8O6PR)n 0 C02987 03/01/2017 M02380 L-Histidyl-tRNA(His) C16H24N3O11PR2(C5H8O6PR)n 0 C02988 03/01/2017 M02382 Lithium Li 1 C15473 28486 HBBGRARXTFLTSG-UHFFFAOYSA-N HMDB05949 03/01/2017 M02392 Lipid-Droplet X 0 03/01/2017 M02397 Lipoyl-[ACP] C8H13OS3R 0 C16239 03/01/2017 M02401 L-Isoleucyl-tRNA(Ile) C21H32N6O11PR(C5H8O6PR)n 0 C03127 03/01/2017 M02404 L-Leucyl-tRNA(Leu) C21H32N6O11PR(C5H8O6PR)n 0 C02047 03/01/2017 M02405 L-Lysyl-tRNA(Lys) C16H29N2O11PR2(C5H8O6PR)n 0 C01931 03/01/2017 M02408 L-Methionyl-tRNA(Met) C20H30N6O11PSR(C5H8O6PR)n 0 C02430 03/01/2017 M02412 L-Phenylalanyl-tRNA(Phe) C19H26NO11PR2(C5H8O6PR)n 0 C03511 03/01/2017 M02414 LPL X 0 03/01/2017 M02415 L-Prolyl-tRNA(Pro) C15H24NO11PR2(C5H8O6PR)n 0 C02702 03/01/2017 M02416 L-Seryl-tRNA(Ser) C13H22NO12PR2(C5H8O6PR)n 0 C02553 03/01/2017 M02419 L-Threonyl-tRNA(Thr) C14H24NO12PR2(C5H8O6PR)n 0 C02992 03/01/2017 M02420 L-Tryptophanyl-tRNA(Trp) C26H31N7O11PR(C5H8O6PR)n 0 C03512 03/01/2017 M02421 L-Tyrosyl-tRNA(Tyr) C24H30N6O12PR(C5H8O6PR)n 0 C02839 03/01/2017 M02423 L-Valyl-tRNA(Val) C20H30N6O11PR(C5H8O6PR)n 0 C02554 03/01/2017 M02427 Lysosomal-Enzyme-D-Mannose C6H11O6R 0 C03706 03/01/2017 M02428 Lysosomal-Enzyme-N-Acetyl-D-Glucosaminyl-Phospho-D-Mannose C14H25NO14PR 0 C04789 03/01/2017 M02435 M7G(5)Pppam C27H40N10O23P4R(C5H8O6PR)n 0 C01972 03/01/2017 M02436 M7G(5)Pppm6Am (Mrna Containing An N6,2-O-Dimethyladenosine Cap) C28H42N10O23P4R(C5H8O6PR)n 0 C04833 03/01/2017 M02437 M7G(5)Ppprm-Rna (Mrna Containing A 2-O-Methylpurine Cap) C22H36N5O23P4R2(C5H8O6PR)n 0 C04802 03/01/2017 M02438 M7G(5)Pppr-Rna C21H34N5O23P4R2(C5H8O6PR)n 0 C02339 03/01/2017 M02446 Maltoheptaose C42H72O36 0 03/01/2017 M02447 Maltohexaose C36H62O31 0 C01936 5288409 OCIBBXPLUVYKCH-LIGGPISVSA-N HMDB0012253 03/01/2017 M02449 Maltopentaose C30H52O26 0 03/01/2017 M02451 Maltotetraose C24H42O21 0 C02052 439639 LUEWUZLMQUOBSB-AYQJAVFRSA-N HMDB01296 03/01/2017 M02457 5Z,8Z,11Z-Eicosatrienoic Acid C20H34O2 0 5312531 UNSRRHDPHVZAHH-WYTUUNCASA-N HMDB0010378 03/01/2017 M02467 Metformin C4H11N5 0 C07151 4091 XZWYZXLIPXDOLR-UHFFFAOYSA-N HMDB01921 03/01/2017 M02469 Methaneselenol CH4Se 0 APKHDKJWSHYLEU-UHFFFAOYSA-N HMDB0060488 03/01/2017 Selenoamino acid metabolism M02472 Methionyl-Peptide C11H17N4O5SR3 0 C11440 03/01/2017 M02474 Methylarsonate CH4AsO3 -1 C07294 8948 QYPPRTNMGCREIM-UHFFFAOYSA-N HMDB0012258 03/01/2017 M02482 Mg2+ Mg 0 03/01/2017 M02488 Molybdopterin C10H12N5O6PS2 -2 C05924 23304237 HPEUEJRPDGMIMY-VISFTIJFSA-L HMDB02206 03/01/2017 M02490 Monofucosyllactoisooctaosylceramide X 0 G04561 03/01/2017 M02491 Monosialylgalactosylgloboside X 0 G00098 03/01/2017 M02493 Myo-Inositol-Polyphosphate X 0 C11525 03/01/2017 M02496 N(Omega)-(Adenosine-5-Diphosphate-D-Ribosyl)-L-Arginine C21H34N9O15P2 -1 C01201 IWVSYNGKNZFSSA-PTDVUUCPSA-N 03/01/2017 M02505 N1-Methyl-2-Pyridone-5-Carboxamide C7H8N2O2 0 C05842 69698 JLQSXXWTCJPCBC-UHFFFAOYSA-N HMDB04193 03/01/2017 NAD metabolism M02506 N1-Methyl-4-Pyridone-5-Carboxamide C7H8N2O2 0 C05843 440810 KTLRWTOPTKGYQY-UHFFFAOYSA-N HMDB04194 03/01/2017 NAD metabolism M02513 N4-(Acetyl-Beta-D-Glucosaminyl)Asparagine C12H21N3O8 0 C04540 123826 YTTRPBWEMMPYSW-HRRFRDKFSA-N HMDB00489 03/01/2017 N-glycan degradation M02521 N-Acetyl-Beta-D-Glucosaminylamine C8H16N2O5 0 C01239 439454 MCGXOCXFFNKASF-FMDGEEDCSA-N HMDB01104 03/01/2017 M02541 N-Acetylmuramate C11H18NO8 -1 C02713 5462244 MNLRQHMNZILYPY-MTBMMDAPSA-N HMDB0060493 03/01/2017 M02542 N-Acetylmuramoyl-Ala C14H23N2O9 -1 C02999 5462248 ICMUIFDBEVJCQA-LCBHGWRZSA-N HMDB0060494 03/01/2017 M02545 N-acetyl-O-acetylneuraminate C13H19NO10 -2 OZRRUNAGVHDLHM-CQYNJFSHSA-M HMDB0060492 03/01/2017 M02557 Naphthalene-1,2-Diol C10H8O2 0 NXPPAOGUKPJVDI-UHFFFAOYSA-N HMDB0060497 03/01/2017 Xenobiotics metabolism M02560 Nefa-Blood-Pool-In CHO2R 0 03/01/2017 M02561 Nefa-Blood-Pool-Out CHO2R 0 03/01/2017 M02576 N-Formylmethionyl-tRNA C21H30N6O12PSR(C5H8O6PR)n 0 C03294 03/01/2017 M02577 Ng,Ng-Dimethyl-L-Arginine C8H18N4O2 0 03/01/2017 M02580 N-Hydroxy-1-Aminonaphthalene C10H9NO 0 C14789 11828 CWFINLADSFPMHF-UHFFFAOYSA-N HMDB0062503 03/01/2017 M02592 nLc5Cer ((Gal)3 (Glc)1 (GlcNAc)1 (Cer)1) X 0 G00051 03/01/2017 M02605 N-Methyltryptamine C11H15N2 1 C06213 6088 NCIKQJBVUNUXLW-UHFFFAOYSA-N HMDB04370 03/01/2017 M02607 Nnal-N-Glucuronide C16H23N3O8 0 C19606 VSVYJUYJFLYYSI-UKOUFMKDSA-N 03/01/2017 M02608 N-Nitrosomethanamine CH4N2O 0 C20306 108081 CIJBKNZDKBKMFU-UHFFFAOYSA-N HMDB0062508 03/01/2017 M02611 Nonadecanoylcarnitine C26H51NO4 0 GWKZIORVZQMWMC-XMMPIXPASA-N 03/01/2017 M02612 Nonadecanoyl Coenzyme A C40H68N7O17P3S -4 YUJZGRUJMWKAJF-ZOUGCNRJSA-N 03/01/2017 M02613 Nonadecanoic acid C19H37O2 -1 C16535 12591 ISYWECDDZWTKFF-UHFFFAOYSA-N HMDB00772 03/01/2017 M02615 Nonanoyl-ACP C9H17OSR 0 03/01/2017 M02616 Nonanoyl-CoA C30H48N7O17P3S -4 C01942 439607 WLDUTYVSAGSKIV-YUXRTGJASA-N HMDB0013028 03/01/2017 M02625 N-Substituted-Amino-Acid C3H3NO3R2 0 C03523 03/01/2017 Miscellaneous M02626 N-Substituted-Aminoacyl-tRNA C13H18NO12PR4(C5H8O6PR)n 0 C03880 03/01/2017 Miscellaneous M02627 N-Tetradecanoylglycylpeptide C16H31NO3(C2H2NOR)n 0 C03881 03/01/2017 M02637 Octadecatrienoylcarnitine C25H43NO4 0 03/01/2017 M02638 Octadecenoylcarnitine(11) C25H47NO4 0 HOAMADDCQBUDDY-HSZRJFAPSA-O 03/01/2017 M02645 O-D-Mannosylprotein C10H16N2O8R2 0 C02863 03/01/2017 Inositol phosphate metabolism M02656 O-Phosphoprotamine X 0 C02729 03/01/2017 M02663 Oxidized-Adrenal-Ferredoxin X 0 C00667 03/01/2017 M02665 Oxidized-Ferredoxin X 0 C00139 03/01/2017 M02669 Oxytocin C43H67N12O12S2 1 C00746 53477758 XNOPRXBHLZRZKH-DSZYJQQASA-N HMDB02865 03/01/2017 M02671 Diguanosine tetraphosphate C20H24N10O21P4 -4 C01261 165186 OLGWXCQXRSSQPO-MHARETSRSA-N HMDB01340 03/01/2017 M02683 Paragloboside C45H79N2O23R 0 C04922 03/01/2017 M02686 Pe-Nme-Ld-Pool C8H13NO8PR2 -1 C01241 03/01/2017 M02687 Pentadecanoyl-ACP C15H29OSR 0 03/01/2017 M02693 Pentanoyl-ACP C5H9OSR 0 03/01/2017 M02694 Pentanoyl Coenzyme A C26H44N7O17P3S C26H40N7O17P3S -4 C00888 439337 RXUATCUKICAIOA-ZMHDXICWSA-N HMDB0013037 03/01/2017 Valerate metabolism M02699 Peptide-2-(3-Carboxy-3-Aminopropyl)-L-Histidine C11H15N5O4R2 0 C04441 440342 CJCSNWWKPUXVRD-MLWJPKLSSA-N HMDB0011655 03/01/2017 Miscellaneous M02700 Peptide-2-[3-Carboxy-3-(Methylammonio)Propyl]-L-Histidine C12H17N5O4R2 0 C04692 440443 YBMOTEQVMANKGX-JAMMHHFISA-O HMDB0011654 03/01/2017 Miscellaneous M02701 Peptide-3-Hydroxy-L-Aspartate C5H6N2O5R2 0 C03957 03/01/2017 Miscellaneous M02702 Peptide-L-Aspartate C5H6N2O4R2 0 C02871 03/01/2017 Miscellaneous M02703 Peptide-L-Methionine-(S)-S-Oxide C6H10N2O3SR2 0 C03895 03/01/2017 M02704 Peptide-L-Methionine C6H10N2O2SR2 0 C03023 03/01/2017 M02705 Peptidyl-Allysyl-Peptide C12H17N4O6R3(C2H2NOR)n(C2H2NOR)n 0 C03531 03/01/2017 M02706 Peptidylamidoglycolate C4H7N2O4R(C2H2NOR)n 0 C03303 03/01/2017 M02707 Peptidylglycine C4H7N2O3R(C2H2NOR)n 0 C02303 03/01/2017 M02708 Peptidyl-L-Lysyl-Peptide C12H20N5O5R3(C2H2NOR)n(C2H2NOR)n 0 C03530 03/01/2017 M02709 Peptidylproline-(Omega=0) C6H8N2O2R2 0 C03633 03/01/2017 Miscellaneous M02710 Peptidylproline-(Omega=180) C6H8N2O2R2 0 C03798 03/01/2017 Miscellaneous M02723 Phenylacetylglycine C10H11NO3 0 C05598 68144 UTYVDVLMYQPLQB-UHFFFAOYSA-N HMDB00821 03/01/2017 M02737 Phospho-Beta-Adrenergic-Receptor C4H7N2O6PR2 0 C04141 03/01/2017 M02740 Phospholipids-Extracellular-Pool C5H5O8PR3 -2 C00865 03/01/2017 M02742 Phosphoprotein X 0 C00562 03/01/2017 M02743 Phosphorhodopsin X 0 C02456 03/01/2017 M02745 5Z-Tetradecenoic acid C14H25O2 -1 5312400 AFGUVBVUFZMJMX-KTKRTIGZSA-N HMDB00521 03/01/2017 M02748 Phytoceramide-Pool C19H38NO4R 0 C12145 03/01/2017 M02749 Phytosphingosine C18H40NO3 1 C12144 122121 AERBNCYCJBRYDG-KSZLIROESA-N HMDB04610 03/01/2017 M02755 Polynucleotide C10H17O10PR2(C5H8O6PR)n 0 C00419 03/01/2017 M02757 PPARA (EnsG00000186951) X 0 03/01/2017 M02758 Dimethylethanolamine C9H15NO8PR2 -1 C04308 7902 UEEJHVSXFDXPFK-UHFFFAOYSA-N HMDB0032231 03/01/2017 M02760 Pregn-5-Ene-3,20-Dione C21H30O2 0 150901 MNRHZPCIEGLWGK-LEKSSAKUSA-N HMDB0062521 03/01/2017 M02761 Pregn-5-Ene-3,20-Dione-17-Ol C21H30O3 0 192722 RCFJDVCRANOZEL-CEGNMAFCSA-N HMDB0062522 03/01/2017 M02767 Procollagen 5-Hydroxy-L-Lysine C7H13N3O3R2 0 C01211 03/01/2017 Glycosaminoglycan degradation M02773 Propanoyl-ACP C3H5OSR 0 03/01/2017 M02801 Protamine X 0 C01609 03/01/2017 M02807 Pseudouridine 5-phosphate C9H11N2O9P -2 C01168 439424 MOBMOJGXNHLLIR-GBNDHIKLSA-N HMDB01271 03/01/2017 M02820 Queuine C12H15N5O3 0 C01449 53477731 WYROLENTHWJFLR-ACLDMZEESA-N HMDB01495 03/01/2017 M02821 Quinidine C20H25N2O2 1 C06527 441074 LOUPRKONTZGTKE-POOUTFPKSA-N HMDB0015044 03/01/2017 M02827 Reduced-Adrenal-Ferredoxin X 0 C00662 03/01/2017 M02828 Reduced-Ferredoxin X 0 C00138 03/01/2017 M02829 Reduced-Vitamin-K C11H9O2R 0 C05850 5280846 MBWXNTAXLNYFJB-NKFFZRIASA-N HMDB04198 03/01/2017 M02837 Retinyl Palmitate C36H58O3 0 SLCSFDSJAUMVCI-MLGPEYMASA-N 03/01/2017 Fatty acid oxidation M02838 Retinyl Ester C21H29O2R 0 C02075 5460164 WWDMJSSVVPXVSV-YCNIQYBTSA-N HMDB03598 03/01/2017 Vitamin A metabolism M02840 Rhodopsin C20H28R 0 C00778 03/01/2017 M02847 RNA C10H18O13P2R2(C5H8O6PR)n 0 C00046 03/01/2017 M02848 Rna-3-Terminal-Phosphate C10H18O13P2R2(C5H8O6PR)n 0 C03638 03/01/2017 M02849 Rna-Terminal-2,3-Cyclic-Phosphate C10H16O12P2R2(C5H8O6PR)n 0 C04312 03/01/2017 M02850 S-(1,2-Dichlorovinyl)glutathione C12H16Cl2N3O6S -1 C14868 6437359 IXARYIJEQUJTIZ-KWRIXSAHSA-N HMDB0060504 03/01/2017 Xenobiotics metabolism M02853 S-(2,2-Dichloro-1-Hydroxy)Ethyl Glutathione C12H19Cl2N3O7S 0 C14861 11954070 RULDRNMMLPUXQI-LBHDVABESA-N HMDB0060506 03/01/2017 Xenobiotics metabolism M02854 S-(2-Chloroacetyl)glutathione C12H17ClN3O7S -1 C14864 163913 QJDRMMRBPVHMAD-BQBZGAKWSA-N HMDB0060505 03/01/2017 Xenobiotics metabolism M02855 S-(2-Hydroxyethyl)glutathione C12H19N3O7S -2 C14875 5460887 UUZCUSQQEJSIHR-YUMQZZPRSA-L HMDB0062525 03/01/2017 M02861 S-(Formylmethyl)glutathione C12H17N3O7S -2 C14871 11954074 VKLQBAQSSOPXGF-YUMQZZPRSA-L HMDB0060507 03/01/2017 Xenobiotics metabolism M02887 Selenite SeO3 0 03/01/2017 M02893 Selenomethionyl-tRNA(Met) C20H30N6O11PSeR(C5H8O6PR)n 0 C05336 03/01/2017 M02895 Se-Methyl-L-Selenocysteine C4H9NO2Se 0 C05689 147004 XDSSPSLGNGIIHP-UHFFFAOYSA-N HMDB04113 03/01/2017 Glutathione metabolism M02898 S-Farnesyl Protein C26H39N5O6SR4(C2H2NOR)n 0 C20120 03/01/2017 M02909 Smcfa-Blood-Pool CHO2R 0 03/01/2017 M02911 1-(sn-Glycero-3-phospho)-1D-myo-inositol C9H18O11P -1 C01225 BMVUIWJCUQSHLZ-UJGXJMNGSA-N HMDB0011649 03/01/2017 M02913 Sn-Glycerol-3-Pe C5H14NO6P 0 C01233 22833510 JZNWSCPGTDBMEW-YFKPBYRVSA-N HMDB00114 03/01/2017 M02918 S-Palmitoylprotein C20H36N2O3SR2 0 C17202 03/01/2017 M02935 Star X 0 03/01/2017 M02948 Galactosylceramidesulfate C25H46NO11SR 0 03/01/2017 Sphingolipid metabolism M02954 Trichloroethylene epoxide C2HCl3O 0 C11148 28167 CMMXCVYESRODNH-UHFFFAOYSA-N HMDB0062533 03/01/2017 M02956 Tags-Chylomicron-Pool C6H5O6R3 0 C00422 03/01/2017 M02957 Tag-Extraction C6H5O6R3 0 C00422 3246953 DQKMNCLZNGAXNX-DPDRHGIRSA-N HMDB05357 03/01/2017 M02958 Triacylglycerol-Ld-Pool C6H5O6R3 0 C00422 03/01/2017 M02973 Tetradecanoylcarnitine C21H41NO4 0 53477791 PSHXNVGSVNEJBD-LJQANCHMSA-N HMDB05066 03/01/2017 M02975 Tetradecenoylcarnitine(7) C21H39NO4 0 DDSIETAJPRUVHI-KHPPLWFESA-N 03/01/2017 M02976 Tetradecenoylcarnitine(9) C21H39NO4 0 ABVVZYXTZLEOHP-HJWRWDBZSA-N 03/01/2017 M02977 TetraHCA C27H47O4 -1 FAYYTQMQTAKHRM-ASDSSCPRSA-N 03/01/2017 M02979 Tetrahydropteroyltri-L-Glutamate C29H37N9O12 0 C04144 16722112 RXWVHRYZTWZATH-XSLAGTTESA-N HMDB0012290 03/01/2017 M02988 Thiol HSR 0 C00145 03/01/2017 M02989 Thiopurine C5H4N4S 0 D04931 667490 GLVAUDGFNGKCSF-UHFFFAOYSA-N HMDB0015167 03/01/2017 Xenobiotics metabolism M03005 Trans,Cis,Cis,Cis-2,11,14,17-Eicosatetraenoyl Coenzyme A C41H62N7O17P3S -4 YJKOIKYLHSMLHC-ATRRWJJYSA-J 03/01/2017 M03006 Trans,Cis,Cis,Cis-2,13,16,19-Docosatetraenoyl Coenzyme A C43H66N7O17P3S -4 NRLYGVPJTXDRBN-VQDRTHBOSA-J 03/01/2017 M03008 Trans,Cis,Cis-2,13,16-Docasatrienoyl Coenzyme A C43H68N7O17P3S -4 UQKAIZMGSRBXAI-DINKZTAGSA-J 03/01/2017 M03011 Trans,Cis-2,11-Docosadienoyl Coenzyme A C43H70N7O17P3S -4 YJOHPYGLIIVTCO-WRSCFHFHSA-J 03/01/2017 M03014 Trans,Cis-2,13-Eicosadienoyl Coenzyme A C41H66N7O17P3S -4 UODBMTONMVKPGP-MMGHJVPGSA-J 03/01/2017 M03016 Trans,Cis-2,17-Hexacosadienoyl Coenzyme A C47H78N7O17P3S -4 VVEDQQFMUCPMSM-LBUOMOQLSA-N 03/01/2017 M03017 Trans,Cis-2,8,11-Eicosatrienoyl Coenzyme A C41H64N7O17P3S -4 03/01/2017 M03018 Trans,Cis-2,9-Eicosadienoyl Coenzyme A C41H66N7O17P3S -4 VCGWYAHHVOPZFZ-VUGQBNTFSA-J 03/01/2017 M03019 Trans,Cis-Hexadeca-2,7-Dienoyl Coenzyme A C37H58N7O17P3S -4 YQARRKBGBKPBCX-DVZFGLDUSA-N 03/01/2017 M03022 Trans,Cis-Myristo-2,5-Dienoyl Coenzyme A C35H54N7O17P3S -4 JVEFYXPCQBMMAA-ZMLWRGBOSA-N 03/01/2017 M03024 Trans,Cis-Octadeca-2,11-Dienoyl Coenzyme A C39H62N7O17P3S -4 OPMPWWFMNYWBGF-SHWONZDGSA-J 03/01/2017 M03032 Trans-3,4-Dihydro-3,4-Dihydroxy-7,12-Dimethylbenz[A]Anthracene C20H18O2 0 C19490 156317 YZIIKMBFHLJAFT-ICSRJNTNSA-N HMDB0060517 03/01/2017 M03038 Trans-5,6-Dihydro-5,6-Dihydroxy-7,12-Dimethylbenz[A]Anthracene C20H18O2 0 C19607 12778780 SGVWCDYKBWRHKJ-PMACEKPBSA-N HMDB0060519 03/01/2017 M03041 Trichloroacetic acid C2Cl3O2 -1 C11150 6421 YNJBWRMUSHSURL-UHFFFAOYSA-N HMDB0042048 03/01/2017 M03042 Trichloroethanol glucuronide C8H10Cl3O7 -1 C14869 3036914 IQOASJJGUQMXDW-GHQVIJFQSA-N HMDB0042049 03/01/2017 M03043 Trichloroethanol C2H3Cl3O 0 C07490 8259 KPWDGTGXUYRARH-UHFFFAOYSA-N HMDB0041796 03/01/2017 Xenobiotics metabolism M03044 Trichloroethene C2HCl3 0 C06790 6575 XSTXAVWGXDQKEL-UHFFFAOYSA-N HMDB0029593 03/01/2017 Xenobiotics metabolism M03045 Tricosanoic acid C23H45O2 -1 17085 XEZVDURJDFGERA-UHFFFAOYSA-N HMDB01160 03/01/2017 M03046 Tricosanoylcarnitine C30H59NO4 0 WMGNVECUKWPFJX-MUUNZHRXSA-N 03/01/2017 M03047 Tricosanoyl Coenzyme A C44H76N7O17P3S -4 GBAQBZWAXMYXRJ-IDCBOFBBSA-N 03/01/2017 M03048 Tridecanoyl-ACP C13H25OSR 0 03/01/2017 M03049 Tridecanoylcarnitine C20H39NO4 0 OLAOWMDKXPIITQ-UHFFFAOYSA-N 03/01/2017 M03050 Tridecanoyl-CoA C34H56N7O17P3S -4 53481606 TZKUYUHMJHEXOQ-XILBVEEWSA-N HMDB0013109 03/01/2017 M03051 Tridecanoic acid C13H25O2 -1 C17076 12530 SZHOJFHSIKHZHA-UHFFFAOYSA-N HMDB00910 03/01/2017 M03053 Trimethylamine C3H10N 1 C00565 1146 GETQZCLCWQTVFV-UHFFFAOYSA-N HMDB00906 03/01/2017 M03054 Trimethylamine N-Oxide C3H9NO 0 C01104 1145 UYPYRKYUKCHHIB-UHFFFAOYSA-N HMDB00925 03/01/2017 M03056 10,11S,12R-Trihydroxy-5Z,8Z,14Z-Eicosatrienoic Acid C20H33O5 -1 GOHNIXDAQODZKP-OAHYXANXSA-N 03/01/2017 M03058 tRNA-Containing 5-Aminomethyl-2-Thiouridine C10H16N3O8PS(C5H8O6PR)n(C5H8O6PR)n 0 C11478 03/01/2017 M03059 tRNA-Containing-5-Methylaminomethyl-2-Thiouridylate C11H18N3O8PS(C5H8O6PR)n(C5H8O6PR)n 0 C04728 03/01/2017 M03060 tRNA-Containing-6-Isopentenyladenosine C15H22N5O7P(C5H8O6PR)n(C5H8O6PR)n 0 C04432 03/01/2017 M03061 tRNA-Containing-N2-Methylguanine C11H16N5O8P(C5H8O6PR)n(C5H8O6PR)n 0 C04158 03/01/2017 M03062 tRNA-Containing-N7-Methylguanine C11H16N5O8P(C5H8O6PR)n(C5H8O6PR)n 0 C04160 03/01/2017 Miscellaneous M03063 tRNA(Ala) X 0 C01635 03/01/2017 M03064 tRNA(Arg) X 0 C01636 03/01/2017 M03065 tRNA(Asn) X 0 C01637 03/01/2017 M03066 tRNA(Asp) X 0 C01638 03/01/2017 M03067 tRNA(Cys) X 0 C01639 03/01/2017 M03068 tRNA(Gln) X 0 C01640 03/01/2017 M03069 tRNA(Glu) X 0 C01641 03/01/2017 M03070 tRNA(Gly) X 0 C01642 03/01/2017 M03071 tRNA(His) X 0 C01643 03/01/2017 M03072 tRNA(Ile) X 0 C01644 03/01/2017 M03073 tRNA(Leu) X 0 C01645 03/01/2017 M03074 tRNA(Lys) X 0 C01646 03/01/2017 M03075 tRNA(Met) X 0 C01647 03/01/2017 M03076 tRNA(Phe) X 0 C01648 03/01/2017 M03077 tRNA(Pro) X 0 C01649 03/01/2017 M03078 tRNA(Ser) X 0 C01650 03/01/2017 M03079 tRNA(Thr) X 0 C01651 03/01/2017 M03080 tRNA(Trp) X 0 C01652 03/01/2017 M03081 tRNA(Tyr) X 0 C00787 03/01/2017 M03082 tRNA(Val) X 0 C01653 03/01/2017 M03083 tRNA C10H17O10PR2(C5H8O6PR)n 0 C00066 03/01/2017 Miscellaneous M03084 tRNA-Guanine C10H14N5O8P(C5H8O6PR)n(C5H8O6PR)n 0 C01977 03/01/2017 Miscellaneous M03085 tRNA-Pseudouridine C9H13N2O9P(C5H8O6PR)n(C5H8O6PR)n 0 C02764 03/01/2017 Miscellaneous M03086 tRNA-Queuine C17H24N5O10P(C5H8O6PR)n(C5H8O6PR)n 0 C01978 03/01/2017 M03087 tRNA-Uridine C9H13N2O9P(C5H8O6PR)n(C5H8O6PR)n 0 C00868 03/01/2017 Miscellaneous M03093 Type-II-A-Antigen C59H102N3O32R 0 C06132 03/01/2017 M03094 Type II B Antigen X 0 G00052 03/01/2017 M03104 Ubiquitin-C-Terminal-Thiolester X 0 C04090 03/01/2017 M03105 Ubiquitin X 0 C00496 03/01/2017 M03115 Undecanoyl-ACP C11H21OSR 0 03/01/2017 M03116 Undecanoyl-CoA C32H52N7O17P3S -4 53481608 IZWCGXGZGYKDHR-WMMBNDHFSA-N HMDB0013114 03/01/2017 M03117 Undecanoic acid C11H21O2 -1 C17715 8180 ZDPHROOEEOARMN-UHFFFAOYSA-N HMDB00947 03/01/2017 M03122 (S)-Ureidoglycolic acid C3H5N2O4 -1 C00603 439269 NWZYYCVIOKVTII-SFOWXEAESA-N HMDB01005 03/01/2017 M03126 Uroporphyrin Iii C40H38N4O16 0 03/01/2017 M03131 V3(Neuac)2-Gb5Cer ((Gal)3 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1) X 0 G00100 03/01/2017 M03132 V3Fuc,III3Fuc-nLc6Cer ((Gal)3 (Glc)1 (GlcNAc)2 (LFuc)2 (Cer)1) X 0 G00090 03/01/2017 M03134 Valeric Acid C5H9O2 -1 C00803 7991 NQPDZGIKBAWPEJ-UHFFFAOYSA-N HMDB00892 03/01/2017 Valerate metabolism M03139 Vitamin A Derivatives X 0 03/01/2017 M03140 Vitamin D Derivatives X 0 03/01/2017 M03143 Vitamin E Derivatives X 0 03/01/2017 M03144 Vitamin-K-Epoxide C11H7O3R 0 C16711 03/01/2017 M03145 Vitamin-K C11H7O2R 0 C01628 03/01/2017 M03146 VLDL-Remnant (Very Low-Density Lipoprotein) X 0 03/01/2017 M03147 VLDL (Very Low-Density Lipoprotein) X 0 03/01/2017 M03153 17Z-hexacosenoic acid C26H49O2 -1 5282775 RQIDQEBURXNDKG-KTKRTIGZSA-N HMDB0062452 03/01/2017 M03159 Phylloquinol C31H48O2 0 C03313 5280585 BUFJIHPUGZHTHL-NKFFZRIASA-N HMDB0060502 03/01/2017 Ubiquinone and other terpenoid-quinone biosynthesis M03160 N-Acetylneuraminyl-Galactosylceramide C36H63N2O16R 0 C06128 03/01/2017 N-glycan degradation M03161 Glycogen C24H42O21 0 C00182 439177 BYSGBSNPRWKUQH-UJDJLXLFSA-N HMDB00757 03/01/2017 M03162 5,6-Dihydroxyindole C8H7NO2 0 C05578 114683 SGNZYJXNUURYCH-UHFFFAOYSA-N HMDB04058 03/01/2017 M03163 Indole-5,6-Quinone C8H5NO2 0 C05579 440728 IGGVVGHJSQSLFO-UHFFFAOYSA-N HMDB06779 03/01/2017 M03164 D-Alanyl-D-Alanine C6H12N2O3 0 C00993 5460362 DEFJQIDDEAULHB-QWWZWVQMSA-N HMDB03459 03/01/2017 M03165 Sedoheptulose C7H14O7 0 C02076 102926 HAIWUXASLYEWLM-QTSLKERKSA-N HMDB03219 03/01/2017 Pentose phosphate pathway M03166 Sedoheptulose 1-phosphate C7H13O10P -2 C06222 16070031 JPTRNFAYXMBCLJ-SHUUEZRQSA-N HMDB0060509 03/01/2017 Pentose phosphate pathway M03167 5-phosphonooxy-L-lysine C6H14N2O6P -1 C03366 25163995 WLPXLNNUXMDSPG-UHNVWZDZSA-N HMDB0059600 03/01/2017 Miscellaneous M03168 Malonyl-CoA semialdehyde C24H34N7O18P3S -4 C05989 440865 NMEYBPUHJHMRHU-IEXPHMLFSA-J HMDB02170 03/01/2017 M03169 Insulin-(SS) X 0 C00723 03/01/2017 M03170 Insulin-(SH)2 X 0 C02288 03/01/2017 m12dahglyc Monoglucosyl-1,2 dianteisoheptadecanoylglycerol C43H82O10 C43H82O10 0 02/07/2014 Glycerophospholipid metabolism m12dapglyc Monoglucosyl-1,2 dianteisopentadecanoylglycerol C39H74O10 C39H74O10 0 02/07/2014 Glycerophospholipid metabolism m12dg_LLA monoglucosyl_1_2_diacylglycerol C4320H7998O1000 0 02/07/2014 Cell wall biosynthesis m12dihglyc Monoglucosyl-1,2 diisoheptadecanoylglycerol C43H82O10 C43H82O10 0 02/07/2014 Cell wall biosynthesis m12dipglyc Monoglucosyl-1,2 diisopentadecanoylglycerol C39H74O10 C39H74O10 0 02/07/2014 Cell wall biosynthesis m12ditglyc Monoglucosyl-1,2 diisotetradecanoylglycerol C37H70O10 C37H70O10 0 02/07/2014 Cell wall biosynthesis m12dixglyc Monoglucosyl-1,2 diisohexadecanoylglycerol C41H78O10 C41H78O10 0 02/07/2014 Cell wall biosynthesis m12dmglyc Monoglucosyl-1,2 dimyristoylglycerol X C37H70O10 0 30/09/2014 Cell wall biosynthesis m12dpglyc Monoglucosyl-1,2 dipalmitoylglycerol X C41H78O10 0 30/09/2014 Cell wall biosynthesis m12dsglyc Monoglucosyl-1,2 distearoylglycerol X C45H86O10 0 30/09/2014 Cell wall biosynthesis m1mpdol_L alpha-D-mannosyl-beta-D-mannosyl-diacylchitobiosyldiphosphodolichol, human liver homolog C1360H2228N20O270P20 -20 C05861 24892766 28067 LXNPFZYOWOXRQK-WPFSCCOBSA-N HMDB0062446 02/07/2014 N-glycan synthesis m1mpdol_U alpha-D-mannosyl-beta-D-mannosyl-diacylchitobiosyldiphosphodolichol, human uterine homolog C1305H2140N20O270P20 -20 45259177 28067 LXNPFZYOWOXRQK-WPFSCCOBSA-N HMDB0062768 02/07/2014 N-glycan synthesis m1tglycrt S-Methyl-1-thio-D-glycerate C4H8O3S 0 19/09/2018 Sulfur metabolism m2emgacpail_hs (dimannosyl),(phosphoethanolaminyl)-mannosyl-glucosylaminyl-acylphosphatidylinositol (H6) C51H94N2O32P2FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m2fucgal Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside C13H24O10 C13H24O10 0 C04698 01/07/2019 Glycosaminoglycan degradation m2gacpail_hs dimannosyl-glucosaminyl-acylphosphatidylinositol (H3) C43H78NO24PFULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m2mn (alpha-D-mannosyl)2-beta-D-mannosyl-N-acetylglucosamine C26H45NO21 0 53477854 ANPUOEHHKRCFGW-NRDBFSGKSA-N HMDB06537 02/07/2014 Keratan sulfate degradation m2mpdol_L (alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1420H2328N20O320P20 -20 28049 02/07/2014 N-glycan synthesis m2mpdol_U (alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1365H2240N20O320P20 -20 28049 02/07/2014 N-glycan synthesis m3emgacpail_hs (trimannosyl),(phosphoethanolaminyl)-mannosyl-glucosaminyl-acylphosphatidylinositol (M4C) C57H104N2O37P2FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m3gacpail_hs trimannosyl-glucosaminyl-acylphosphatidylinositol (H4) C49H88NO29PFULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism m3gacpail_prot_hs m3gacpail_prot_hs[r] X 0 02/07/2014 m3hdp Methyl-3-hydroxyl diphosphate C5H11O8P2 C5H11O8P2 -3 13/05/2020 Glycerophospholipid metabolism m3mpdol_L (alpha-D-mannosyl)3-beta-D-mannosyl-diacetylchitodiphosphodolichol, human liver homolog C1480H2428N20O370P20 -20 37632 02/07/2014 N-glycan synthesis m3mpdol_U (alpha-D-mannosyl)3-beta-D-mannosyl-diacetylchitodiphosphodolichol, human uterine homolog C1425H2340N20O370P20 -20 37632 02/07/2014 N-glycan synthesis m3p1tglycrt S-Methyl-3-phospho-1-thio-D-glycerate C4H8O6PS -1 19/09/2018 Sulfur metabolism m4masn (alpha-D-mannosyl)4-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C46H77N2O35X 0 C05881 02/07/2014 N-glycan synthesis m4mpdol_L (alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1540H2528N20O420P20 -20 C05864 37633 HYYPTQKNNHAOBO-HKXZGDFYSA-N 02/07/2014 N-glycan synthesis m4mpdol_U (alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1485H2440N20O420P20 -20 37633 HYYPTQKNNHAOBO-POZNVQOCSA-L 02/07/2014 N-glycan synthesis m5masnB1 (alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C52H87N2O40X 0 02/07/2014 N-glycan synthesis m5masnB2 (alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C52H87N2O40X 0 02/07/2014 N-glycan synthesis m5masnC (alpha-D-mannosyl)5-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C52H87N2O40X 0 02/07/2014 N-glycan synthesis m5mpdol_L (alpha-D-Mannosyl)5-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1600H2628N20O470P20 -20 37634 02/07/2014 N-glycan synthesis m5mpdol_U (alpha-D-Mannosyl)5-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1545H2540N20O470P20 -20 37634 02/07/2014 N-glycan synthesis m6masnA (alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C58H97N2O45X 0 02/07/2014 N-glycan synthesis m6masnB1 (alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C58H97N2O45X 0 02/07/2014 N-glycan synthesis m6masnB2 (alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C58H97N2O45X 0 02/07/2014 N-glycan synthesis m6masnC (alpha-D-mannosyl)6-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C58H97N2O45X 0 02/07/2014 N-glycan synthesis m6mpdol_L (alpha-D-Mannosyl)6-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1660H2728N20O520P20 -20 37635 02/07/2014 N-glycan synthesis m6mpdol_U (alpha-D-Mannosyl)6-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1605H2640N20O520P20 -20 37635 02/07/2014 N-glycan synthesis m7masnA (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein) C64H107N2O50X 0 02/07/2014 N-glycan synthesis m7masnB (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform B (protein) C64H107N2O50X 0 02/07/2014 N-glycan synthesis m7masnC (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform C (protein) C64H107N2O50X 0 02/07/2014 N-glycan synthesis m7mpdol_L (alpha-D-Mannosyl)7-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1720H2828N20O570P20 -20 37636 02/07/2014 N-glycan synthesis m7mpdol_U (alpha-D-Mannosyl)7-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1665H2740N20O570P20 -20 37636 02/07/2014 N-glycan synthesis m8masn (alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine (protein) C70H117N2O55X 0 C05876 02/07/2014 N-glycan synthesis m8mpdol_L (alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human liver homolog C1780H2928N20O620P20 -20 59093 BJWUBPJLKOKNEN-QFDIRLSWSA-N 02/07/2014 N-glycan synthesis m8mpdol_U (alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol, human uterine homolog C1725H2840N20O620P20 -20 59093 BJWUBPJLKOKNEN-QFDIRLSWSA-N 02/07/2014 N-glycan synthesis madc Monoamide of a dicarboxylic acid C3H4NO3 -1 19/09/2018 Miscellaneous madg alpha-Methyl-D-glucoside C7H14O6 C7H14O6 0 02/07/2014 Starch and sucrose metabolism mag_hs monoacylglycerol 2 C3H7O2FULLR2CO2 0 02/07/2014 Fatty acid oxidation magarachi_hs 1-Arachidonoyl Glycerol C23H38O4 0 DCPCOKIYJYGMDN-CDIMZWLNSA-N 03/01/2017 Glycerophospholipid metabolism maglinl_hs 1-Linoleoylglycerol C21H38O4 0 WECGLUPZRHILCT-GSNKCQISSA-N 03/01/2017 Glycerophospholipid metabolism magole_hs 1-Oleoylglycerol C21H40O4 0 RZRNAYUHWVFMIP-KTKRTIGZSA-N 03/01/2017 Glycerophospholipid metabolism magpalm_hs 1-Palmitoylglycerol C19H38O4 0 QHZLMUACJMDIAE-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism magste_hs 1-Stearoylglycerol C21H42O4 0 VBICKXHEKHSIBG-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism mal_D D-Malate C4H4O5 -2 HMDB0031518 02/07/2014 Butanoate metabolism mal_L L-malate C4H4O5 -2 C00149 222656 30797 BJEPYKJPYRNKOW-REOHCLBHSA-L HMDB00156 02/07/2014 Carbon fixation pathways in prokaryotes malACP Malonyl-[acyl-carrier protein] C14H22N2O10PRS -2 C01209 58107 02/07/2014 Biotin metabolism malcoa Malonyl-CoA C24H33N7O19P3S -5 C00083 10663 15531 LTYOQGRJFJAKNA-DVVLENMVSA-I HMDB01175 02/07/2014 Biotin metabolism malcoam Malonyl-CoA methyl ester C25H36N7O19P3S -4 02/07/2014 Biotin metabolism malon Malonate X 0 02/07/2014 malpy maleylpyruvate/Maleylpyruvic acid/3-Maleylpyruvate C7H6O6 -2 02/07/2014 malpyr Maleylpyruvate C7H4O6 -2 19/09/2018 Tyrosine metabolism malsa Malic semialdehyde C4H6O4 C4H5O4 -1 13/11/2015 malt Maltose C12H22O11 0 C00208 10991489 17306 GUBGYTABKSRVRQ-PICCSMPSSA-N HMDB00163 02/07/2014 Histone phosphorylation malt6p Maltose 6-phosphate C12H21O14P -2 02/07/2014 Histone phosphorylation malthp maltoheptaose C42H72O36 0 BNABBHGYYMZMOA-QJBBZCPBSA-N HMDB0013000 02/07/2014 Starch and sucrose metabolism malthx Maltohexaose C36H62O31 0 C01936 439606 61953 OCIBBXPLUVYKCH-LIGGPISVSA-N HMDB0012253 02/07/2014 Starch and sucrose metabolism maltpt maltopentaose C30H52O26 0 13489094 61952 FTNIPWXXIGNQQF-HZWIHCTQSA-N HMDB0012254 02/07/2014 Starch and sucrose metabolism malttr maltotriose C18H32O16 0 C01835 439586 27931 FYGDTMLNYKFZSV-PXXRMHSHSA-N HMDB01262 02/07/2014 Starch and sucrose metabolism maltttr Maltotetraose C24H42O21 0 C02052 439639 28460 LUEWUZLMQUOBSB-AYQJAVFRSA-N HMDB01296 02/07/2014 Starch and sucrose metabolism malylcoa Malyl-CoA (iSO783) C25H36N7O20P3S -4 HMDB01021 08/03/2016 Carbon fixation pathways in prokaryotes man D-Mannose C6H12O6 0 C00159 18950 4208 WQZGKKKJIJFFOK-QTVWNMPRSA-N HMDB00169 02/07/2014 Drug metabolism man1p D-Mannose 1-phosphate C6H11O9P -2 C00636 644175 35374 HXXFSFRBOHSIMQ-JFNONXLTSA-L HMDB06330 02/07/2014 Fructose and mannose metabolism man6p D-Mannose 6-phosphate C6H11O9P -2 C00275 439198 49728 NBSCHQHZLSJFNQ-RWOPYEJCSA-L HMDB01078 02/07/2014 Aminosugar metabolism man6pglyc 2(alpha-D-Mannosyl-6-phosphate)-D-glycerate C9H14O12P -3 02/07/2014 Fructose and mannose metabolism mana D-Mannonate C6H11O7 -1 02/07/2014 Fructose and mannose metabolism manb Mannobiose (beta-1,4) C12H22O11 0 C01728 02/07/2014 Fructose and mannose metabolism manglyc 2(alpha-D-Mannosyl)-D-glycerate C9H15O9 -1 02/07/2014 Fructose and mannose metabolism mannan Alpha-mannan, yeast, has a MW of about 25000 (PMID: 5461381), equals ~ 140 mannose units. ID according to iMM904 C840H1402O701 0 17/03/2015 Drug metabolism mannur D-Mannuronic acid C6H10O7 C6H9O7 -1 C02024 26/08/2019 Fructose and mannose metabolism manpt mannopentaose C30H52O26 0 02/07/2014 Fructose and mannose metabolism mantr mannotriose (beta-1,4) C18H32O16 0 02/07/2014 Fructose and mannose metabolism manttr mannotetraose C24H42O21 0 02/07/2014 Fructose and mannose metabolism mbdg beta-Methylglucoside C7H14O6 C7H14O6 0 02/07/2014 Starch and sucrose metabolism mbenz Methylbenzene, Toluene C7H8 0 17/07/2015 mbhn methyl behenic acid C23H45O2 -1 12/11/2020 Fatty acid synthesis mbparg [Myeline basic protein] L-arginine C7H14N5O2R2 1 19/09/2018 Arginine and proline metabolism mbpnmarg [Myeline basic protein] N(omega)-methyl-L-arginine C8H16N5O2R2 1 19/09/2018 Arginine and proline metabolism mclbnzn Monochlorobenzene C6H5Cl 0 19/09/2018 Xenobiotics metabolism mcom Methyl Coenzyme M C3H8O3S2 C3H7O3S2 -1 C03920 6649 17827 CSCCS(O)(=O)=O 03/02/2015 Methane metabolism MCOOH MPT_synthase_small_subunit_MoaD MCO2 0 02/07/2014 MCOSH MPT_synthase_sulfurylated_small_subunit__MoaD_SH_ MCHOS 0 02/07/2014 mcrea m-Cresotic acid C8H8O3 C8H7O3 -1 02/07/2014 Naphthalene degradation mdz Midazolam C18H13ClFN3 C18H13ClFN3 0 D00550 4192 DDLIGBOFAVUZHB-UHFFFAOYSA-N HMDB0014821 02/07/2014 Drug metabolism mdz_glc Midazolam Glucuronide C24H21ClFN3O6 C24H20ClFN3O6 -1 01/03/2019 Drug metabolism mdzglc Midazolam-Glucuronide C24H22ClFN3O6 C24H21ClFN3O6 -1 02/07/2014 Drug metabolism mecfsp Methylcorrinoid iron sulfur protein C20H3CoN4R21 1 C06020 23/02/2015 Wood-Ljungdahl Pathway melanin Melanin C9H6NO4 -1 C05606 6325610 XUMBMVFBXHLACL-UHFFFAOYSA-N HMDB04068 02/07/2014 Tyrosine metabolism melatn melatonin C13H16N2O2 0 C01598 896 16796 DRLFMBDRBRZALE-UHFFFAOYSA-N HMDB01389 02/07/2014 Tryptophan metabolism melib Melibiose C12H22O11 0 KDEWWQZHBSXNPX-XGZCLZEASA-N HMDB0055419 02/07/2014 Fructose and mannose metabolism melt Melilotate C9H10O3 C9H9O3 -1 HMDB0033752 02/07/2014 Phenylalanine metabolism mem2emgacpail_hs ({[(mannosyl),(phosphoethanolaminyl)]-dimannosyl},{phosphoethanolaminyl})-mannosyl-glucosaminyl-acylphosphatidylinositol (M4B) C59H110N3O40P3FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism mem2emgacpail_prot_hs ({[(mannosyl),(phosphoethanolaminyl)]-dimannosyl},{phosphoethanolaminyl})-mannosyl-glucosaminyl-acylphosphatidylinositol-Protein... C59H110N3O40P3FULLRCO2FULLR2CO2X 0 02/07/2014 Phosphatidylinositol phosphate metabolism memgacpail_hs (mannosyl),(phosphoethanolaminyl)-mannosyl-glucosylaminyl-acylphosphatidylinositol (B) C45H84N2O27P2FULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism meoh methanol CH4O1 0 C00132 887 17790 OKKJLVBELUTLKV-UHFFFAOYSA-N HMDB01875 02/07/2014 Alkaloid synthesis mepi Metanephrine C10H16NO3 1 C05588 21100 144365 JWJCTZKFYGDABJ-VIFPVBQESA-O HMDB04063 02/07/2014 Tyrosine metabolism meracmp acetaminophen-mercapturate-conjugate/N-acetyl-cysteine-acetaminophen C13H16N2O5S C13H15N2O5S -1 02/07/2014 Drug metabolism mercapt Mercapturic acid C5H7NO3RS -1 C05727 01/07/2019 Glutathione metabolism mercplac 3-Mercaptolactate C3H5O3S -1 C05823 160645 28580 OLQOVQTWRIJPRE-REOHCLBHSA-M HMDB02127 02/07/2014 Methionine and cysteine metabolism mercplaccys 3-mercaptolactate-cysteine disulfide C6H10O5S2N -1 193536 MAFDYIDMXCXBRB-WUCPZUCCSA-M HMDB06512 02/07/2014 Methionine and cysteine metabolism mercppyr 3-mercaptopyruvate C3H3O3S -1 C00957 98 16208 OJOLFAIGOXZBCI-UHFFFAOYSA-M HMDB01368 02/07/2014 Alanine and aspartate metabolism mescoa Mesaconyl-CoA C26H35N7O19P3S -5 C06028 11966166 27969 LVBVWNJPMXCQJE-CBBDEUQJSA-I HMDB0060124 02/07/2014 C5-branched dibasic acid metabolism mescon Mesaconate C5H4O4 -2 C01732 638129 16600 HNEGQIOMVPPMNR-NSCUHMNNSA-L HMDB00749 02/07/2014 C5-branched dibasic acid metabolism met_D D-Methionine C5H10NO2S 0 3292996 02/07/2014 met_L L-methionine C5H11NO2S 0 C00073 6137 16643 FFEARJCKVFRZRR-BYPYZUCNSA-N HMDB00696 02/07/2014 Arginine and proline metabolism metala L-methionyl-L-alanine C8H16N2O3S 0 74394 02/07/2014 Peptide metabolism metargleu Methionyl-Arginyl-Leucine C17H35N6O4S 1 WDTLNWHPIPCMMP-XQQFMLRXSA-O 03/01/2017 Peptide metabolism metasntyr Methionyl-Asparaginyl-Tyrosine C18H26N4O6S 0 HKRYNJSKVLZIFP-MJBXVCDLSA-N 03/01/2017 Peptide metabolism metglntyr Methionyl-Glutaminyl-Tyrosine C19H28N4O6 0 QMIXOTQHYHOUJP-KKUMJFAQSA-N 03/01/2017 Peptide metabolism metglyarg Methionyl-Glycyl-Arginine C13H27N6O4S 1 FYRUJIJAUPHUNB-IUCAKERBSA-O 03/01/2017 Peptide metabolism methal Methional X 0 02/07/2014 methf 5,10-Methenyltetrahydrofolate C20H20N7O6 -1 C00445 644350 57455 MEANFMOQMXYMCT-QWHCGFSZSA-M HMDB01354 02/07/2014 Folate metabolism methhydntn N-Methylhydantoin C4H6N2O2 0 19/09/2018 Arginine and proline metabolism methislys Methionyl-Histidyl-Lysine C17H31N6O4S 1 DYTWOWJWJCBFLE-MELADBBJSA-O 03/01/2017 Peptide metabolism methsucc Methyl-Succinate C5H6O4 -2 WXUAQHNMJWJLTG-UHFFFAOYSA-L 03/01/2017 Fatty acid oxidation methsuccoa Methyl-Succinyl Coenzyme A C26H37N7O19P3S -5 OUFHQHVVFSERRI-VKBDFPRVSA-I 03/01/2017 Fatty acid oxidation metmetile Methionyl-Methionyl-Isoleucine C16H31N3O4S2 0 LLKWSEXLNFBKIF-CMOBGSAGSA-N 03/01/2017 Peptide metabolism metphearg Methionyl-Phenylalanyl-Arginine C20H33N6O4S 1 LNXGEYIEEUZGGH-HRCADAONSA-O 03/01/2017 Peptide metabolism metsox_R_L L-methionine-R-sulfoxide C5H11NO3S 0 57392327 02/07/2014 Methionine and cysteine metabolism metsox_S_L L-Methionine Sulfoxide C5H11NO3S 0 02/07/2014 Methionine and cysteine metabolism mettrna L-Methionyl-tRNA (Met) C5H10NOSR 1 02/07/2014 tRNA Charging mettrpphe Methionyl-Tryptophanyl-Phenylalanine C25H30N4O4S 0 HMEVNCOJHJTLNB-NNWRFLSQSA-N 03/01/2017 Peptide metabolism mev_R (R)-mevalonate C6H11O4 -1 C00418 449 17710 KJTLQQUUPVSXIM-ZCFIWIBFSA-M HMDB00227 02/07/2014 Cholesterol metabolism mfur Methanofuran C34H44N4O15 C34H40N4O15 -4 02/07/2014 Methane metabolism mg2 magnesium Mg 2 JLVVSXFLKOJNIY-UHFFFAOYSA-N HMDB00547 02/07/2014 Vitamin B12 metabolism mgacpail_hs mannosyl-glucosaminyl-acylphosphatidylinositiol (H2) C37H68NO19PFULLRCO2FULLR2CO2 0 02/07/2014 Phosphatidylinositol phosphate metabolism mgal Methyl beta-D-galactoside C7H14O6 C7H14O6 0 C03619 01/07/2019 Glycosaminoglycan degradation MGlcn10 mucin-type O-glycan No 10 C44H71N4O31X C44H69N4O31X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn10_rl released mucin-type O-glycan No 10 C44H72N4O32 C44H70N4O32 -2 29/03/2017 O-glycan degradation MGlcn100 mucin-type O-glycan No 100 C61H100N5O43X C61H99N5O43X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn100_rl released mucin-type O-glycan No 100 C61H101N5O44 C61H100N5O44 -1 29/03/2017 O-glycan degradation MGlcn101 mucin-type O-glycan No 101 C69H113N6O48X C69H112N6O48X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn101_rl released mucin-type O-glycan No 101 C69H114N6O49 C69H113N6O49 -1 29/03/2017 O-glycan degradation MGlcn102 mucin-type O-glycan No 102 C80H130N7O56X C80H128N7O56X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn102_rl released mucin-type O-glycan No 102 C80H131N7O57 C80H129N7O57 -2 29/03/2017 O-glycan degradation MGlcn103 mucin-type O-glycan No 103 C88H143N8O61X C88H141N8O61X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn103_rl released mucin-type O-glycan No 103 C88H144N8O62 C88H142N8O62 -2 29/03/2017 O-glycan degradation MGlcn104 mucin-type O-glycan No 104 C46H77N2O34X C46H77N2O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn104_rl released mucin-type O-glycan No 104 C46H78N2O35 C46H78N2O35 0 29/03/2017 O-glycan degradation MGlcn105 mucin-type O-glycan No 105 C46H77N2O34X C46H77N2O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn105_rl released mucin-type O-glycan No 105 C46H78N2O35 C46H78N2O35 0 29/03/2017 O-glycan degradation MGlcn106 mucin-type O-glycan No 106 C54H90N3O39X C54H90N3O39X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn106_rl released mucin-type O-glycan No 106 C54H91N3O40 C54H91N3O40 0 29/03/2017 O-glycan degradation MGlcn107 mucin-type O-glycan No 107 C54H90N3O39X C54H90N3O39X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn107_rl released mucin-type O-glycan No 107 C54H91N3O40 C54H91N3O40 0 29/03/2017 O-glycan degradation MGlcn108 mucin-type O-glycan No 108 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn108_rl released mucin-type O-glycan No 108 C42H71N3O30 C42H71N3O30 0 29/03/2017 O-glycan degradation MGlcn109 mucin-type O-glycan No 109 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn109_rl released mucin-type O-glycan No 109 C36H61N3O26 C36H61N3O26 0 29/03/2017 O-glycan degradation MGlcn110 mucin-type O-glycan No 110 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn110_rl released mucin-type O-glycan No 110 C36H61N3O26 C36H61N3O26 0 G06866 29/03/2017 O-glycan degradation MGlcn111 mucin-type O-glycan No 111 C34H57N2O25X C34H57N2O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn111_rl released mucin-type O-glycan No 111 C34H58N2O26 C34H58N2O26 0 29/03/2017 O-glycan degradation MGlcn112 mucin-type O-glycan No 112 C34H57N2O25X C34H57N2O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn112_rl released mucin-type O-glycan No 112 C34H58N2O26 C34H58N2O26 0 G06868 29/03/2017 O-glycan degradation MGlcn113 mucin-type O-glycan No 113 C42H70N3O30X C42H70N3O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn113_rl released mucin-type O-glycan No 113 C42H71N3O31 C42H71N3O31 0 G01462 29/03/2017 O-glycan degradation MGlcn114 mucin-type O-glycan No 114 C40H67N2O30X C40H67N2O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn114_rl released mucin-type O-glycan No 114 C40H68N2O31 C40H68N2O31 0 29/03/2017 O-glycan degradation MGlcn115 mucin-type O-glycan No 115 C48H80N3O35X C48H80N3O35X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn115_rl released mucin-type O-glycan No 115 C48H81N3O36 C48H81N3O36 0 29/03/2017 O-glycan degradation MGlcn116 mucin-type O-glycan No 116 C33H54N3O23X C33H53N3O23X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn116_rl released mucin-type O-glycan No 116 C33H55N3O24 C33H54N3O24 -1 29/03/2017 O-glycan degradation MGlcn117 mucin-type O-glycan No 117 C39H64N3O28X C39H63N3O28X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn117_rl released mucin-type O-glycan No 117 C39H65N3O29 C39H64N3O29 -1 G00592 29/03/2017 O-glycan degradation MGlcn118 mucin-type O-glycan No 118 C53H87N4O37X C53H86N4O37X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn118_rl released mucin-type O-glycan No 118 C53H88N4O38 C53H87N4O38 -1 29/03/2017 O-glycan degradation MGlcn119 mucin-type O-glycan No 119 C53H87N4O37X C53H86N4O37X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn119_rl released mucin-type O-glycan No 119 C53H88N4O38 C53H87N4O38 -1 29/03/2017 O-glycan degradation MGlcn12 mucin-type O-glycan No 12 C22H37N2O15X C22H37N2O15X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn12_rl released mucin-type O-glycan No 12 C22H38N2O16 C22H38N2O16 0 G03456 29/03/2017 O-glycan degradation MGlcn120 mucin-type O-glycan No 120 C47H77N4O33X C47H76N4O33X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn120_rl released mucin-type O-glycan No 120 C47H78N4O34 C47H77N4O34 -1 29/03/2017 O-glycan degradation MGlcn121 mucin-type O-glycan No 121 C61H100N5O42X C61H99N5O42X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn121_rl released mucin-type O-glycan No 121 C61H101N5O43 C61H100N5O43 -1 29/03/2017 O-glycan degradation MGlcn122 mucin-type O-glycan No 122 C61H100N5O42X C61H99N5O42X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn122_rl released mucin-type O-glycan No 122 C61H101N5O43 C61H100N5O43 -1 29/03/2017 O-glycan degradation MGlcn123 mucin-type O-glycan No 123 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn123_rl released mucin-type O-glycan No 123 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn124 mucin-type O-glycan No 124 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn124_rl released mucin-type O-glycan No 124 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn126 mucin-type O-glycan No 126 C61H100N5O43X C61H99N5O43X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn126_rl released mucin-type O-glycan No 126 C61H101N5O44 C61H100N5O44 -1 29/03/2017 O-glycan degradation MGlcn127 mucin-type O-glycan No 127 C75H123N6O52X C75H122N6O52X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn127_rl released mucin-type O-glycan No 127 C75H124N6O53 C75H123N6O53 -1 29/03/2017 O-glycan degradation MGlcn128 mucin-type O-glycan No 128 C75H123N6O52X C75H122N6O52X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn128_rl released mucin-type O-glycan No 128 C75H124N6O53 C75H123N6O53 -1 29/03/2017 O-glycan degradation MGlcn129 mucin-type O-glycan No 129 C75H123N6O52X C75H122N6O52X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn129_rl released mucin-type O-glycan No 129 C75H124N6O53 C75H123N6O53 -1 29/03/2017 O-glycan degradation MGlcn13 mucin-type O-glycan No 13 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn13_rl released mucin-type O-glycan No 13 C30H51N3O21 C30H51N3O21 0 G11528 29/03/2017 O-glycan degradation MGlcn130 mucin-type O-glycan No 130 C69H113N6O48X C69H112N6O48X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn130_rl released mucin-type O-glycan No 130 C69H114N6O49 C69H113N6O49 -1 29/03/2017 O-glycan degradation MGlcn131 mucin-type O-glycan No 131 C69H113N6O48X C69H112N6O48X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn131_rl released mucin-type O-glycan No 131 C69H114N6O49 C69H113N6O49 -1 29/03/2017 O-glycan degradation MGlcn132 mucin-type O-glycan No 132 C69H113N6O48X C69H112N6O48X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn132_rl released mucin-type O-glycan No 132 C69H114N6O49 C69H113N6O49 -1 29/03/2017 O-glycan degradation MGlcn133 mucin-type O-glycan No 133 C83H136N7O57X C83H135N7O57X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn133_rl released mucin-type O-glycan No 133 C83H137N7O58 C83H136N7O58 -1 29/03/2017 O-glycan degradation MGlcn134 mucin-type O-glycan No 134 C83H136N7O57X C83H135N7O57X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn134_rl released mucin-type O-glycan No 134 C83H137N7O58 C83H136N7O58 -1 29/03/2017 O-glycan degradation MGlcn135 mucin-type O-glycan No 135 C77H126N7O53X C77H125N7O53X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn135_rl released mucin-type O-glycan No 135 C77H127N7O54 C77H126N7O54 -1 29/03/2017 O-glycan degradation MGlcn136 mucin-type O-glycan No 136 C77H126N7O53X C77H125N7O53X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn136_rl released mucin-type O-glycan No 136 C77H127N7O54 C77H126N7O54 -1 29/03/2017 O-glycan degradation MGlcn137 mucin-type O-glycan No 137 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn137_rl released mucin-type O-glycan No 137 C34H58N2O25 C34H58N2O25 0 G07029 29/03/2017 O-glycan degradation MGlcn138 mucin-type O-glycan No 138 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn138_rl released mucin-type O-glycan No 138 C34H58N2O25 C34H58N2O25 0 29/03/2017 O-glycan degradation MGlcn139 mucin-type O-glycan No 139 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn139_rl released mucin-type O-glycan No 139 C34H58N2O25 C34H58N2O25 0 29/03/2017 O-glycan degradation MGlcn14 mucin-type O-glycan No 14 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn14_rl released mucin-type O-glycan No 14 C36H61N3O26 C36H61N3O26 0 G03094 29/03/2017 O-glycan degradation MGlcn140 mucin-type O-glycan No 140 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn140_rl released mucin-type O-glycan No 140 C34H58N2O25 C34H58N2O25 0 29/03/2017 O-glycan degradation MGlcn141 mucin-type O-glycan No 141 C28H47N2O19X C28H47N2O19X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn141_rl released mucin-type O-glycan No 141 C28H48N2O20 C28H48N2O20 0 G08438 29/03/2017 O-glycan degradation MGlcn142 mucin-type O-glycan No 142 C28H47N2O19X C28H47N2O19X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn142_rl released mucin-type O-glycan No 142 C28H48N2O20 C28H48N2O20 0 29/03/2017 O-glycan degradation MGlcn143 mucin-type O-glycan No 143 C28H47N2O19X C28H47N2O19X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn143_rl released mucin-type O-glycan No 143 C28H48N2O20 C28H48N2O20 0 G07897 29/03/2017 O-glycan degradation MGlcn144 mucin-type O-glycan No 144 C28H47N2O19X C28H47N2O19X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn144_rl released mucin-type O-glycan No 144 C28H48N2O20 C28H48N2O20 0 G11584 29/03/2017 O-glycan degradation MGlcn145 mucin-type O-glycan No 145 C34H57N2O23X C34H57N2O23X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn145_rl released mucin-type O-glycan No 145 C34H58N2O24 C34H58N2O24 0 29/03/2017 O-glycan degradation MGlcn146 mucin-type O-glycan No 146 C34H57N2O23X C34H57N2O23X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn146_rl released mucin-type O-glycan No 146 C34H58N2O24 C34H58N2O24 0 29/03/2017 O-glycan degradation MGlcn147 mucin-type O-glycan No 147 C33H54N3O23X C33H53N3O23X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn147_rl released mucin-type O-glycan No 147 C33H55N3O24 C33H54N3O24 -1 29/03/2017 O-glycan degradation MGlcn148 mucin-type O-glycan No 148 C22H37N2O15X C22H37N2O15X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn148_rl released mucin-type O-glycan No 148 C22H38N2O16 C22H38N2O16 0 G07733 29/03/2017 O-glycan degradation MGlcn149 mucin-type O-glycan No 149 C36H60N3O24X C36H60N3O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn149_rl released mucin-type O-glycan No 149 C36H61N3O25 C36H61N3O25 0 29/03/2017 O-glycan degradation MGlcn15 mucin-type O-glycan No 15 C50H83N4O34X C50H83N4O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn15_rl released mucin-type O-glycan No 15 C50H84N4O35 C50H84N4O35 0 G02923 29/03/2017 O-glycan degradation MGlcn150 mucin-type O-glycan No 150 C41H67N4O28X C41H66N4O28X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn150_rl released mucin-type O-glycan No 150 C41H68N4O29 C41H67N4O29 -1 29/03/2017 O-glycan degradation MGlcn151 mucin-type O-glycan No 151 C41H67N4O28X C41H66N4O28X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn151_rl released mucin-type O-glycan No 151 C41H68N4O29 C41H67N4O29 -1 29/03/2017 O-glycan degradation MGlcn152 mucin-type O-glycan No 152 C52H84N5O36X C52H82N5O36X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn152_rl released mucin-type O-glycan No 152 C52H85N5O37 C52H83N5O37 -2 G05487 29/03/2017 O-glycan degradation MGlcn153 mucin-type O-glycan No 153 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn153_rl released mucin-type O-glycan No 153 C30H51N3O21 C30H51N3O21 0 29/03/2017 O-glycan degradation MGlcn154 mucin-type O-glycan No 154 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn154_rl released mucin-type O-glycan No 154 C30H51N3O21 C30H51N3O21 0 G03238 29/03/2017 O-glycan degradation MGlcn155 mucin-type O-glycan No 155 C36H60N3O24X C36H60N3O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn155_rl released mucin-type O-glycan No 155 C36H61N3O25 C36H61N3O25 0 29/03/2017 O-glycan degradation MGlcn156 mucin-type O-glycan No 156 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn156_rl released mucin-type O-glycan No 156 C30H51N3O21 C30H51N3O21 0 29/03/2017 O-glycan degradation MGlcn157 mucin-type O-glycan No 157 C40H67N2O28X C40H67N2O28X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn157_rl released mucin-type O-glycan No 157 C40H68N2O29 C40H68N2O29 0 29/03/2017 O-glycan degradation MGlcn158 mucin-type O-glycan No 158 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn158_rl released mucin-type O-glycan No 158 C28H48N2O21 C28H48N2O21 0 29/03/2017 O-glycan degradation MGlcn159 mucin-type O-glycan No 159 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn159_rl released mucin-type O-glycan No 159 C28H48N2O21 C28H48N2O21 0 29/03/2017 O-glycan degradation MGlcn16 mucin-type O-glycan No 16 C52H86N5O35X C52H86N5O35X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn16_rl released mucin-type O-glycan No 16 C52H87N5O36 C52H87N5O36 0 G02914 29/03/2017 O-glycan degradation MGlcn160 mucin-type O-glycan No 160 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn160_rl released mucin-type O-glycan No 160 C28H48N2O21 C28H48N2O21 0 G06744 29/03/2017 O-glycan degradation MGlcn161 mucin-type O-glycan No 161 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn161_rl released mucin-type O-glycan No 161 C42H71N3O30 C42H71N3O30 0 29/03/2017 O-glycan degradation MGlcn162 mucin-type O-glycan No 162 C67H110N5O47X C67H109N5O47X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn162_rl released mucin-type O-glycan No 162 C67H111N5O48 C67H110N5O48 -1 29/03/2017 O-glycan degradation MGlcn163 mucin-type O-glycan No 163 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn163_rl released mucin-type O-glycan No 163 C36H61N3O26 C36H61N3O26 0 29/03/2017 O-glycan degradation MGlcn164 mucin-type O-glycan No 164 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn164_rl released mucin-type O-glycan No 164 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn165 mucin-type O-glycan No 165 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn165_rl released mucin-type O-glycan No 165 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn166 mucin-type O-glycan No 166 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn166_rl released mucin-type O-glycan No 166 C44H74N4O31 C44H74N4O31 0 29/03/2017 O-glycan degradation MGlcn167 mucin-type O-glycan No 167 C63H103N6O43X C63H102N6O43X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn167_rl released mucin-type O-glycan No 167 C63H104N6O44 C63H103N6O44 -1 29/03/2017 O-glycan degradation MGlcn168 mucin-type O-glycan No 168 C63H103N6O43X C63H102N6O43X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn168_rl released mucin-type O-glycan No 168 C63H104N6O44 C63H103N6O44 -1 29/03/2017 O-glycan degradation MGlcn169 mucin-type O-glycan No 169 C63H103N6O43X C63H102N6O43X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn169_rl released mucin-type O-glycan No 169 C63H104N6O44 C63H103N6O44 -1 29/03/2017 O-glycan degradation MGlcn17 mucin-type O-glycan No 17 C72H119N6O49X C72H119N6O49X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn17_rl released mucin-type O-glycan No 17 C72H120N6O50 C72H120N6O50 0 G04568 29/03/2017 O-glycan degradation MGlcn170 mucin-type O-glycan No 170 C52H86N5O35X C52H86N5O35X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn170_rl released mucin-type O-glycan No 170 C52H87N5O36 C52H87N5O36 0 29/03/2017 O-glycan degradation MGlcn171 mucin-type O-glycan No 171 C52H86N5O35X C52H86N5O35X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn171_rl released mucin-type O-glycan No 171 C52H87N5O36 C52H87N5O36 0 29/03/2017 O-glycan degradation MGlcn172 mucin-type O-glycan No 172 C48H80N3O34X C48H80N3O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn172_rl released mucin-type O-glycan No 172 C48H81N3O35 C48H81N3O35 0 29/03/2017 O-glycan degradation MGlcn173 mucin-type O-glycan No 173 C42H70N3O30X C42H70N3O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn173_rl released mucin-type O-glycan No 173 C42H71N3O31 C42H71N3O31 0 29/03/2017 O-glycan degradation MGlcn174 mucin-type O-glycan No 174 C49H80N5O33X C49H79N5O33X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn174_rl released mucin-type O-glycan No 174 C49H81N5O34 C49H80N5O34 -1 29/03/2017 O-glycan degradation MGlcn175 mucin-type O-glycan No 175 C38H63N4O25X C38H63N4O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn175_rl released mucin-type O-glycan No 175 C38H64N4O26 C38H64N4O26 0 29/03/2017 O-glycan degradation MGlcn176 mucin-type O-glycan No 176 C61H100N5O42X C61H99N5O42X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn176_rl released mucin-type O-glycan No 176 C61H101N5O43 C61H100N5O43 -1 29/03/2017 O-glycan degradation MGlcn177 mucin-type O-glycan No 177 C50H83N4O34X C50H83N4O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn177_rl released mucin-type O-glycan No 177 C50H84N4O35 C50H84N4O35 0 29/03/2017 O-glycan degradation MGlcn178 mucin-type O-glycan No 178 C66H107N6O46X C66H105N6O46X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn178_rl released mucin-type O-glycan No 178 C66H108N6O47 C66H106N6O47 -2 29/03/2017 O-glycan degradation MGlcn179 mucin-type O-glycan No 179 C69H113N6O47X C69H112N6O47X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn179_rl released mucin-type O-glycan No 179 C69H114N6O48 C69H113N6O48 -1 29/03/2017 O-glycan degradation MGlcn18 mucin-type O-glycan No 18 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn18_rl released mucin-type O-glycan No 18 C44H74N4O31 C44H74N4O31 0 G03003 29/03/2017 O-glycan degradation MGlcn180 mucin-type O-glycan No 180 C58H96N5O39X C58H96N5O39X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn180_rl released mucin-type O-glycan No 180 C58H97N5O40 C58H97N5O40 0 29/03/2017 O-glycan degradation MGlcn181 mucin-type O-glycan No 181 C74H120N7O51X C74H118N7O51X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn181_rl released mucin-type O-glycan No 181 C74H121N7O52 C74H119N7O52 -2 29/03/2017 O-glycan degradation MGlcn182 mucin-type O-glycan No 182 C22H37N2O14X C22H37N2O14X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn182_rl released mucin-type O-glycan No 182 C22H38N2O15 C22H38N2O15 0 29/03/2017 O-glycan degradation MGlcn183 mucin-type O-glycan No 183 C41H67N4O28X C41H66N4O28X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn183_rl released mucin-type O-glycan No 183 C41H68N4O29 C41H67N4O29 -1 29/03/2017 O-glycan degradation MGlcn185 mucin-type O-glycan No 185 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn185_rl released mucin-type O-glycan No 185 C30H51N3O21 C30H51N3O21 0 29/03/2017 O-glycan degradation MGlcn186 mucin-type O-glycan No 186 C47H77N4O33X C47H76N4O33X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn186_rl released mucin-type O-glycan No 186 C47H78N4O34 C47H77N4O34 -1 29/03/2017 O-glycan degradation MGlcn187 mucin-type O-glycan No 187 C47H77N4O33X C47H76N4O33X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn187_rl released mucin-type O-glycan No 187 C47H78N4O34 C47H77N4O34 -1 29/03/2017 O-glycan degradation MGlcn188 mucin-type O-glycan No 188 C58H94N5O41X C58H92N5O41X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn188_rl released mucin-type O-glycan No 188 C58H95N5O42 C58H93N5O42 -2 29/03/2017 O-glycan degradation MGlcn189 mucin-type O-glycan No 189 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn189_rl released mucin-type O-glycan No 189 C36H61N3O26 C36H61N3O26 0 29/03/2017 O-glycan degradation MGlcn19 mucin-type O-glycan No 19 C66H109N6O45X C66H109N6O45X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn19_rl released mucin-type O-glycan No 19 C66H110N6O46 C66H110N6O46 0 G02813 29/03/2017 O-glycan degradation MGlcn190 mucin-type O-glycan No 190 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn190_rl released mucin-type O-glycan No 190 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn191 mucin-type O-glycan No 191 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn191_rl released mucin-type O-glycan No 191 C55H91N5O39 C55H90N5O39 -1 29/03/2017 O-glycan degradation MGlcn192 mucin-type O-glycan No 192 C66H107N6O46X C66H105N6O46X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn192_rl released mucin-type O-glycan No 192 C66H108N6O47 C66H106N6O47 -2 29/03/2017 O-glycan degradation MGlcn193 mucin-type O-glycan No 193 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn193_rl released mucin-type O-glycan No 193 C44H74N4O31 C44H74N4O31 0 29/03/2017 O-glycan degradation MGlcn194 mucin-type O-glycan No 194 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn194_rl released mucin-type O-glycan No 194 C44H74N4O31 C44H74N4O31 0 29/03/2017 O-glycan degradation MGlcn195 mucin-type O-glycan No 195 C26H44NO19X C26H44NO19X 0 G10799 29/03/2017 Mucin O-glycan biosynthesis MGlcn195_rl released mucin-type O-glycan No 195 C26H45NO20 C26H45NO20 0 G00912 29/03/2017 O-glycan degradation MGlcn196 mucin-type O-glycan No 196 C20H34NO15X C20H34NO15X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn196_rl released mucin-type O-glycan No 196 C20H35NO16 C20H35NO16 0 29/03/2017 O-glycan degradation MGlcn2 mucin-type O-glycan No 2 C27H44N3O18X C27H43N3O18X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn2_rl released mucin-type O-glycan No 2 C27H45N3O19 C27H44N3O19 -1 G11519 29/03/2017 O-glycan degradation MGlcn20 mucin-type O-glycan No 20 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn20_rl released mucin-type O-glycan No 20 C44H74N4O31 C44H74N4O31 0 29/03/2017 O-glycan degradation MGlcn21 mucin-type O-glycan No 21 C58H96N5O40X C58H96N5O40X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn21_rl released mucin-type O-glycan No 21 C58H97N5O41 C58H97N5O41 0 29/03/2017 O-glycan degradation MGlcn22 mucin-type O-glycan No 22 C20H34NO14X C20H34NO14X 0 G11128 29/03/2017 Mucin O-glycan biosynthesis MGlcn22_rl released mucin-type O-glycan No 22 C20H35NO15 C20H35NO15 0 G00320 29/03/2017 O-glycan degradation MGlcn23 mucin-type O-glycan No 23 C28H47N2O19X C28H47N2O19X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn23_rl released mucin-type O-glycan No 23 C28H48N2O20 C28H48N2O20 0 G00566 29/03/2017 O-glycan degradation MGlcn24 mucin-type O-glycan No 24 C28H47N2O19X C28H47N2O19X 0 G00224 29/03/2017 Mucin O-glycan biosynthesis MGlcn24_rl released mucin-type O-glycan No 24 C28H48N2O20 C28H48N2O20 0 G08312 29/03/2017 O-glycan degradation MGlcn25 mucin-type O-glycan No 25 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn25_rl released mucin-type O-glycan No 25 C34H58N2O25 C34H58N2O25 0 G07109 29/03/2017 O-glycan degradation MGlcn26 mucin-type O-glycan No 26 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn26_rl released mucin-type O-glycan No 26 C34H58N2O25 C34H58N2O25 0 G07108 29/03/2017 O-glycan degradation MGlcn27 mucin-type O-glycan No 27 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn27_rl released mucin-type O-glycan No 27 C34H58N2O25 C34H58N2O25 0 G07067 29/03/2017 O-glycan degradation MGlcn28 mucin-type O-glycan No 28 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn28_rl released mucin-type O-glycan No 28 C34H58N2O25 C34H58N2O25 0 G07066 29/03/2017 O-glycan degradation MGlcn29 mucin-type O-glycan No 29 C36H60N3O24X C36H60N3O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn29_rl released mucin-type O-glycan No 29 C36H61N3O25 C36H61N3O25 0 G01996 29/03/2017 O-glycan degradation MGlcn3 mucin-type O-glycan No 3 C33H54N3O23X C33H53N3O23X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn3_rl released mucin-type O-glycan No 3 C33H55N3O24 C33H54N3O24 -1 G00682 29/03/2017 O-glycan degradation MGlcn30 mucin-type O-glycan No 30 C40H67N2O28X C40H67N2O28X 0 G00219 29/03/2017 Mucin O-glycan biosynthesis MGlcn30_rl released mucin-type O-glycan No 30 C40H68N2O29 C40H68N2O29 0 G00563 29/03/2017 O-glycan degradation MGlcn31 mucin-type O-glycan No 31 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn31_rl released mucin-type O-glycan No 31 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn32 mucin-type O-glycan No 32 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn32_rl released mucin-type O-glycan No 32 C42H71N3O30 C42H71N3O30 0 29/03/2017 O-glycan degradation MGlcn33 mucin-type O-glycan No 33 C46H77N2O32X C46H77N2O32X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn33_rl released mucin-type O-glycan No 33 C46H78N2O33 C46H78N2O33 0 29/03/2017 O-glycan degradation MGlcn34 mucin-type O-glycan No 34 C46H77N2O33X C46H77N2O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn34_rl released mucin-type O-glycan No 34 C46H78N2O34 C46H78N2O34 0 29/03/2017 O-glycan degradation MGlcn35 mucin-type O-glycan No 35 C46H77N2O33X C46H77N2O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn35_rl released mucin-type O-glycan No 35 C46H78N2O34 C46H78N2O34 0 29/03/2017 O-glycan degradation MGlcn36 mucin-type O-glycan No 36 C46H77N2O33X C46H77N2O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn36_rl released mucin-type O-glycan No 36 C46H78N2O34 C46H78N2O34 0 29/03/2017 O-glycan degradation MGlcn37 mucin-type O-glycan No 37 C48H80N3O33X C48H80N3O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn37_rl released mucin-type O-glycan No 37 C48H81N3O34 C48H81N3O34 0 G01930 29/03/2017 O-glycan degradation MGlcn38 mucin-type O-glycan No 38 C48H80N3O33X C48H80N3O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn38_rl released mucin-type O-glycan No 38 C48H81N3O34 C48H81N3O34 0 G05786 29/03/2017 O-glycan degradation MGlcn39 mucin-type O-glycan No 39 C22H37N2O15X C22H37N2O15X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn39_rl released mucin-type O-glycan No 39 C22H38N2O16 C22H38N2O16 0 G00942 29/03/2017 O-glycan degradation MGlcn4 mucin-type O-glycan No 4 C47H77N4O33X C47H76N4O33X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn4_rl released mucin-type O-glycan No 4 C47H78N4O34 C47H77N4O34 -1 G02979 29/03/2017 O-glycan degradation MGlcn40 mucin-type O-glycan No 40 C48H80N3O33X C48H80N3O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn40_rl released mucin-type O-glycan No 40 C48H81N3O34 C48H81N3O34 0 29/03/2017 O-glycan degradation MGlcn41 mucin-type O-glycan No 41 C50H83N4O34X C50H83N4O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn41_rl released mucin-type O-glycan No 41 C50H84N4O35 C50H84N4O35 0 29/03/2017 O-glycan degradation MGlcn42 mucin-type O-glycan No 42 C52H87N2O38X C52H87N2O38X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn42_rl released mucin-type O-glycan No 42 C52H88N2O39 C52H88N2O39 0 G05387 29/03/2017 O-glycan degradation MGlcn45 mucin-type O-glycan No 45 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn45_rl released mucin-type O-glycan No 45 C28H48N2O21 C28H48N2O21 0 G07612 29/03/2017 O-glycan degradation MGlcn46 mucin-type O-glycan No 46 C28H47N2O20X C28H47N2O20X 0 G06742 29/03/2017 Mucin O-glycan biosynthesis MGlcn46_rl released mucin-type O-glycan No 46 C28H48N2O21 C28H48N2O21 0 G02047 29/03/2017 O-glycan degradation MGlcn47 mucin-type O-glycan No 47 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn47_rl released mucin-type O-glycan No 47 C42H71N3O30 C42H71N3O30 0 G01465 29/03/2017 O-glycan degradation MGlcn48 mucin-type O-glycan No 48 C25H41N2O18X C25H40N2O18X -1 G10794 29/03/2017 Mucin O-glycan biosynthesis MGlcn48_rl released mucin-type O-glycan No 48 C25H42N2O19 C25H41N2O19 -1 G00378 29/03/2017 O-glycan degradation MGlcn5 mucin-type O-glycan No 5 C55H90N5O38X C55H89N5O38X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn5_rl released mucin-type O-glycan No 5 C55H91N5O39 C55H90N5O39 -1 G02913 29/03/2017 O-glycan degradation MGlcn50 mucin-type O-glycan No 50 C31H51N2O22X C31H50N2O22X -1 G06389 29/03/2017 Mucin O-glycan biosynthesis MGlcn50_rl released mucin-type O-glycan No 50 C31H52N2O23 C31H51N2O23 -1 G01490 29/03/2017 O-glycan degradation MGlcn51 mucin-type O-glycan No 51 C33H54N3O23X C33H53N3O23X -1 G00208 29/03/2017 Mucin O-glycan biosynthesis MGlcn51_rl released mucin-type O-glycan No 51 C33H55N3O24 C33H54N3O24 -1 G01186 29/03/2017 O-glycan degradation MGlcn53 mucin-type O-glycan No 53 C39H64N3O28X C39H63N3O28X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn53_rl released mucin-type O-glycan No 53 C39H65N3O29 C39H64N3O29 -1 G00355 29/03/2017 O-glycan degradation MGlcn54 mucin-type O-glycan No 54 C50H81N4O36X C50H79N4O36X -2 G00221 29/03/2017 Mucin O-glycan biosynthesis MGlcn54_rl released mucin-type O-glycan No 54 C50H82N4O37 C50H80N4O37 -2 G00336 29/03/2017 O-glycan degradation MGlcn55 mucin-type O-glycan No 55 C54H90N3O38X C54H90N3O38X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn55_rl released mucin-type O-glycan No 55 C54H91N3O39 C54H91N3O39 0 29/03/2017 O-glycan degradation MGlcn56 mucin-type O-glycan No 56 C60H100N3O43X C60H100N3O43X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn56_rl released mucin-type O-glycan No 56 C60H101N3O44 C60H101N3O44 0 29/03/2017 O-glycan degradation MGlcn57 mucin-type O-glycan No 57 C58H96N5O40X C58H96N5O40X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn57_rl released mucin-type O-glycan No 57 C58H97N5O41 C58H97N5O41 0 29/03/2017 O-glycan degradation MGlcn58 mucin-type O-glycan No 58 C58H96N5O40X C58H96N5O40X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn58_rl released mucin-type O-glycan No 58 C58H97N5O41 C58H97N5O41 0 29/03/2017 O-glycan degradation MGlcn59 mucin-type O-glycan No 59 C86H140N7O60X C86H138N7O60X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn59_rl released mucin-type O-glycan No 59 C86H141N7O61 C86H139N7O61 -2 29/03/2017 O-glycan degradation MGlcn6 mucin-type O-glycan No 6 C75H123N6O52X C75H122N6O52X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn6_rl released mucin-type O-glycan No 6 C75H124N6O53 C75H123N6O53 -1 G04550 29/03/2017 O-glycan degradation MGlcn60 mucin-type O-glycan No 60 C86H140N7O60X C86H138N7O60X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn60_rl released mucin-type O-glycan No 60 C86H141N7O61 C86H139N7O61 -2 29/03/2017 O-glycan degradation MGlcn61 mucin-type O-glycan No 61 C64H106N5O44X C64H106N5O44X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn61_rl released mucin-type O-glycan No 61 C64H107N5O45 C64H107N5O45 0 29/03/2017 O-glycan degradation MGlcn62 mucin-type O-glycan No 62 C64H106N5O44X C64H106N5O44X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn62_rl released mucin-type O-glycan No 62 C64H107N5O45 C64H107N5O45 0 29/03/2017 O-glycan degradation MGlcn63 mucin-type O-glycan No 63 C64H104N5O45X C64H102N5O45X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn63_rl released mucin-type O-glycan No 63 C64H105N5O46 C64H103N5O46 -2 29/03/2017 O-glycan degradation MGlcn64 mucin-type O-glycan No 64 C67H110N5O47X C67H109N5O47X -1 29/03/2017 Mucin O-glycan biosynthesis MGlcn64_rl released mucin-type O-glycan No 64 C67H111N5O48 C67H110N5O48 -1 29/03/2017 O-glycan degradation MGlcn65 mucin-type O-glycan No 65 C72H117N6O51X C72H115N6O51X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn65_rl released mucin-type O-glycan No 65 C72H118N6O52 C72H116N6O52 -2 29/03/2017 O-glycan degradation MGlcn66 mucin-type O-glycan No 66 C50H83N4O35X C50H83N4O35X 0 G05243 29/03/2017 Mucin O-glycan biosynthesis MGlcn66_rl released mucin-type O-glycan No 66 C50H84N4O36 C50H84N4O36 0 29/03/2017 O-glycan degradation MGlcn67 mucin-type O-glycan No 67 C78H127N6O55X C78H125N6O55X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn67_rl released mucin-type O-glycan No 67 C78H128N6O56 C78H126N6O56 -2 29/03/2017 O-glycan degradation MGlcn68 mucin-type O-glycan No 68 C56H93N4O39X C56H93N4O39X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn68_rl released mucin-type O-glycan No 68 C56H94N4O40 C56H94N4O40 0 29/03/2017 O-glycan degradation MGlcn69 mucin-type O-glycan No 69 C40H67N2O28X C40H67N2O28X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn69_rl released mucin-type O-glycan No 69 C40H68N2O29 C40H68N2O29 0 29/03/2017 O-glycan degradation MGlcn7 mucin-type O-glycan No 7 C72H117N6O50X C72H115N6O50X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn7_rl released mucin-type O-glycan No 7 C72H118N6O51 C72H116N6O51 -2 G12059 29/03/2017 O-glycan degradation MGlcn70 mucin-type O-glycan No 70 C40H67N2O28X C40H67N2O28X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn70_rl released mucin-type O-glycan No 70 C40H68N2O29 C40H68N2O29 0 29/03/2017 O-glycan degradation MGlcn71 mucin-type O-glycan No 71 C46H77N2O33X C46H77N2O33X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn71_rl released mucin-type O-glycan No 71 C46H78N2O34 C46H78N2O34 0 29/03/2017 O-glycan degradation MGlcn72 mucin-type O-glycan No 72 C30H50N3O20X C30H50N3O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn72_rl released mucin-type O-glycan No 72 C30H51N3O21 C30H51N3O21 0 29/03/2017 O-glycan degradation MGlcn73 mucin-type O-glycan No 73 C22H37N2O15X C22H37N2O15X 0 G11127 29/03/2017 Mucin O-glycan biosynthesis MGlcn73_rl released mucin-type O-glycan No 73 C22H38N2O16 C22H38N2O16 0 G03254 29/03/2017 O-glycan degradation MGlcn74 mucin-type O-glycan No 74 C34H57N2O24X C34H57N2O24X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn74_rl released mucin-type O-glycan No 74 C34H58N2O25 C34H58N2O25 0 G11138 29/03/2017 O-glycan degradation MGlcn75 mucin-type O-glycan No 75 C40H67N2O28X C40H67N2O28X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn75_rl released mucin-type O-glycan No 75 C40H68N2O29 C40H68N2O29 0 G06422 29/03/2017 O-glycan degradation MGlcn76 mucin-type O-glycan No 76 C40H67N2O28X C40H67N2O28X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn76_rl released mucin-type O-glycan No 76 C40H68N2O29 C40H68N2O29 0 G06369 29/03/2017 O-glycan degradation MGlcn77 mucin-type O-glycan No 77 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn77_rl released mucin-type O-glycan No 77 C28H48N2O21 C28H48N2O21 0 29/03/2017 O-glycan degradation MGlcn78 mucin-type O-glycan No 78 C28H47N2O20X C28H47N2O20X 0 G11136 29/03/2017 Mucin O-glycan biosynthesis MGlcn78_rl released mucin-type O-glycan No 78 C28H48N2O21 C28H48N2O21 0 29/03/2017 O-glycan degradation MGlcn79 mucin-type O-glycan No 79 C28H47N2O20X C28H47N2O20X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn79_rl released mucin-type O-glycan No 79 C28H48N2O21 C28H48N2O21 0 G07968 29/03/2017 O-glycan degradation MGlcn8 mucin-type O-glycan No 8 C80H130N7O56X C80H128N7O56X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn8_rl released mucin-type O-glycan No 8 C80H131N7O57 C80H129N7O57 -2 29/03/2017 O-glycan degradation MGlcn80 mucin-type O-glycan No 80 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn80_rl released mucin-type O-glycan No 80 C42H71N3O30 C42H71N3O30 0 29/03/2017 O-glycan degradation MGlcn81 mucin-type O-glycan No 81 C58H94N5O41X C58H92N5O41X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn81_rl released mucin-type O-glycan No 81 C58H95N5O42 C58H93N5O42 -2 G05085 29/03/2017 O-glycan degradation MGlcn82 mucin-type O-glycan No 82 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn82_rl released mucin-type O-glycan No 82 C36H61N3O26 C36H61N3O26 0 G07031 29/03/2017 O-glycan degradation MGlcn83 mucin-type O-glycan No 83 C36H60N3O25X C36H60N3O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn83_rl released mucin-type O-glycan No 83 C36H61N3O26 C36H61N3O26 0 G06946 29/03/2017 O-glycan degradation MGlcn84 mucin-type O-glycan No 84 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn84_rl released mucin-type O-glycan No 84 C42H71N3O30 C42H71N3O30 0 G01956 29/03/2017 O-glycan degradation MGlcn85 mucin-type O-glycan No 85 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn85_rl released mucin-type O-glycan No 85 C42H71N3O30 C42H71N3O30 0 G03040 29/03/2017 O-glycan degradation MGlcn86 mucin-type O-glycan No 86 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn86_rl released mucin-type O-glycan No 86 C42H71N3O30 C42H71N3O30 0 G06377 29/03/2017 O-glycan degradation MGlcn87 mucin-type O-glycan No 87 C42H70N3O29X C42H70N3O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn87_rl released mucin-type O-glycan No 87 C42H71N3O30 C42H71N3O30 0 29/03/2017 O-glycan degradation MGlcn88 mucin-type O-glycan No 88 C66H107N6O46X C66H105N6O46X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn88_rl released mucin-type O-glycan No 88 C66H108N6O47 C66H106N6O47 -2 29/03/2017 O-glycan degradation MGlcn89 mucin-type O-glycan No 89 C44H73N4O30X C44H73N4O30X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn89_rl released mucin-type O-glycan No 89 C44H74N4O31 C44H74N4O31 0 29/03/2017 O-glycan degradation MGlcn9 mucin-type O-glycan No 9 C94H153N8O65X C94H151N8O65X -2 29/03/2017 Mucin O-glycan biosynthesis MGlcn9_rl released mucin-type O-glycan No 9 C94H154N8O66 C94H152N8O66 -2 29/03/2017 O-glycan degradation MGlcn90 mucin-type O-glycan No 90 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn90_rl released mucin-type O-glycan No 90 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn91 mucin-type O-glycan No 91 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn91_rl released mucin-type O-glycan No 91 C40H68N2O30 C40H68N2O30 0 G06414 29/03/2017 O-glycan degradation MGlcn92 mucin-type O-glycan No 92 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn92_rl released mucin-type O-glycan No 92 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn93 mucin-type O-glycan No 93 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn93_rl released mucin-type O-glycan No 93 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn94 mucin-type O-glycan No 94 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn94_rl released mucin-type O-glycan No 94 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn95 mucin-type O-glycan No 95 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn95_rl released mucin-type O-glycan No 95 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn96 mucin-type O-glycan No 96 C40H67N2O29X C40H67N2O29X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn96_rl released mucin-type O-glycan No 96 C40H68N2O30 C40H68N2O30 0 29/03/2017 O-glycan degradation MGlcn97 mucin-type O-glycan No 97 C34H57N2O25X C34H57N2O25X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn97_rl released mucin-type O-glycan No 97 C34H58N2O26 C34H58N2O26 0 29/03/2017 O-glycan degradation MGlcn98 mucin-type O-glycan No 98 C48H80N3O34X C48H80N3O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn98_rl released mucin-type O-glycan No 98 C48H81N3O35 C48H81N3O35 0 29/03/2017 O-glycan degradation MGlcn99 mucin-type O-glycan No 99 C48H80N3O34X C48H80N3O34X 0 29/03/2017 Mucin O-glycan biosynthesis MGlcn99_rl released mucin-type O-glycan No 99 C48H81N3O35 C48H81N3O35 0 29/03/2017 O-glycan degradation mgnf Magnoflorine C20H24NO4 1 19/09/2018 Methionine and cysteine metabolism mh4mpt 5-Methyl-5,6,7,8-tetrahydromethanopterin C31H47N6O16P C31H44N6O16P -3 C04488 7107 58116 [H][C@]1([C@@H](C)Nc2ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C(O)=O)[C@@H](O)[C@H]3O)cc2)[C@H](C)... 03/02/2015 Methane metabolism mhglz Methyl-hydroxy-gliclazide C15H21N3O4S C15H20N3O4S -1 02/07/2014 Drug metabolism mhista N(tele)-methylhistaminium C6H12N3 1 C05127 3614 29009 FHQDWPCFSJMNCT-UHFFFAOYSA-O HMDB00898 02/07/2014 Histidine metabolism mhpglu 5-Methyltetrahydropteroyltri-L-glutamate C30H39N9O12 C30H35N9O12 -4 C04489 7108 17614 CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O HMDB12177 16/07/2014 mi13456p myo-inositol 1,3,4,5,6-pentakisphosphate(10-) C6H7O21P5 -10 C01284 16322 CTPQAXVNYGZUAJ-KXXVROSKSA-D HMDB03529 02/07/2014 Inositol phosphate metabolism mi1345p 1D-myo-inositol 1,3,4,5-tetrakisphosphate(8-) C6H8O18P4 -8 C01272 107758 16783 CIPFCGZLFXVXBG-CNWJWELYSA-F HMDB01059 02/07/2014 Inositol phosphate metabolism mi1346p myo-inositol 1,3,4,6-tetrakisphosphate(8-) C6H8O18P4 -8 C04477 16155 ZAWIXNGTTZTBKV-JMVOWJSSSA-F HMDB01187 02/07/2014 Inositol phosphate metabolism mi134p 1D-myo-inositol 1,3,4-trisphosphate(6-) C6H9O15P3 -6 C01243 439455 18228 MMWCIQZXVOZEGG-NCGNNJKGSA-H HMDB01143 02/07/2014 Inositol phosphate metabolism mi13p 1D-myo-Inositol 1,3-bisphosphate C6H10O12P2 -4 C04062 18225 PUVHMWJJTITUGO-FICORBCRSA-J HMDB06234 02/07/2014 Inositol phosphate metabolism mi1456p 1D-myo-inositol 1,4,5,6-tetrakisphosphate(8-) C6H8O18P4 -8 C11555 443266 16067 MRVYFOANPDTYBY-UZAAGFTCSA-F HMDB04527 02/07/2014 mi145p 1D-myo-inositol 1,4,5-trisphosphate(6-) C6H9O15P3 -6 C01245 439456 16595 MMWCIQZXVOZEGG-HOZKJCLWSA-H HMDB01498 02/07/2014 Inositol phosphate metabolism mi14p (1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate C6H10O12P2 -4 C01220 17816 PELZSPZCXGTUMR-ADOSBGCESA-J HMDB00968 02/07/2014 Inositol phosphate metabolism mi1p_D 1D-myo-inositol 1-phosphate(2-) C6H11O9P -2 C01177 18297 INAPMGSXUVUWAF-PTQMNWPWSA-L HMDB02985 02/07/2014 Inositol phosphate metabolism mi3456p 1D-myo-inositol 3,4,5,6-tetrakisphosphate(8-) C6H8O18P4 -8 C04520 121920 15844 MRVYFOANPDTYBY-UZAAGFTCSA-F HMDB03848 02/07/2014 Inositol phosphate metabolism mi34p 1D-myo-Inositol 3,4-bisphosphate C6H10O12P2 -4 C04063 440211 28858 MCKAJXMRULSUKI-CNWJWELYSA-J HMDB06235 02/07/2014 Inositol phosphate metabolism mi3p_D 1D-myo-inositol 3-phosphate(2-) C6H11O9P -2 C04006 440194 18169 INAPMGSXUVUWAF-PTQMNWPWSA-L HMDB00213 02/07/2014 Inositol phosphate metabolism mi4p_D 1D-myo-inositol 4-phosphate(2-) C6H11O9P -2 C03546 18384 INAPMGSXUVUWAF-CNWJWELYSA-L HMDB01313 02/07/2014 Inositol phosphate metabolism micit (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate C7H7O7 -3 C04593 5459784 15607 HHKPKXCSHMJWCF-WVBDSBKLSA-K HMDB06471 02/07/2014 Propanoate metabolism minohp myo-inositol hexakisphosphate(12-) C6H6O24P6 -12 C01204 890 17401 IMQLKJBTEOYOSI-GPIVLXJGSA-B HMDB03502 02/07/2014 Inositol phosphate metabolism miso Misonidazole C7H11N3O4 C7H11N3O4 0 26105 01/03/2019 Drug metabolism miso_glc Misonidazole Glucuronide C13H19N3O10 C13H18N3O10 -1 128826 01/03/2019 Drug metabolism mlbtl Melibiitol C12H24O11 0 19/09/2018 Fructose and mannose metabolism mlemt Maleamate C4H4NO3 -1 19/09/2018 Nicotine degradation mlthf 5,10-Methylenetetrahydrofolate C20H21N7O6 -2 C00143 439175 15636 QYNUQALWYRSVHF-UEWDXFNNSA-L HMDB01533 02/07/2014 CoA synthesis mma methylammonium C1H6N 1 C00218 6329 16830 BAVYZALUXZFZLV-UHFFFAOYSA-O HMDB00164 02/07/2014 Glycine, serine, alanine, and threonine metabolism mmcoa_R (R)-methylmalonyl-CoA(5-) C25H35N7O19P3S -5 C01213 22833590 15465 MZFOKIKEPGUZEN-AGCMQPJKSA-I HMDB02255 02/07/2014 Propanoate metabolism mmcoa_S (S)-methylmalonyl-CoA(5-) C25H35N7O19P3S -5 C00683 439291 15466 MZFOKIKEPGUZEN-IBNUZSNCSA-I HMDB01269 02/07/2014 Cell wall biosynthesis mmcoapyrct [Methylmalonyl-CoA:pyruvate carboxytransferase] C17H27N5O4R2S 0 19/09/2018 Biotin metabolism mmet S-Methyl-L-methionine C6H14NO2S 1 HMDB0038670 02/07/2014 Methionine and cysteine metabolism mmql7 methymenaquinol 7 (iSO783) C47H68O2 0 08/03/2016 NAD metabolism mmqn7 methylmenaquinone 7 (iSO783) C47H66O2 0 08/03/2016 NAD metabolism mmtsa (S)-Methylmalonate semialdehyde C4H5O3 -1 C06002 5462303 VOKUMXABRRXHAR-VKHMYHEASA-N HMDB02217 02/07/2014 Valine, leucine, and isoleucine metabolism mn beta-1,4-mannose-N-acetylglucosamine C14H25NO11 0 53477853 KFEUJDWYNGMDBV-MMOUBBDDSA-N HMDB06535 02/07/2014 N-glycan degradation mn2 Mn2+ Mn 2 02/07/2014 mnl D-Mannitol C6H14O6 0 HMDB00765 02/07/2014 Fructose and mannose metabolism mnl1p D-Mannitol 1-phosphate C6H13O9P -2 02/07/2014 Fructose and mannose metabolism mntd Mononucleotide C5H9O7PR -1 19/09/2018 Nucleotide interconversion mnthlctn Mentholactone C10H18O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism moaa Methyloxaloacetate C5H4O5 -2 19/09/2018 C5-branched dibasic acid metabolism mobd Molybdate MoO4 -2 C06232 82208 SHTXPGOZOVLFDJ-UHFFFAOYSA-L HMDB0012260 02/07/2014 Moco Molybdenum_cofactor X 0 02/07/2014 mops 3-(n-Morpholino)Propanesulfonic Acid C7H15NO4S C7H14NO4S -1 02/07/2014 mpdol_L beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol, human liver homolog C1300H2128N20O220P20 -20 C05860 45259170 18396 CMBCFQGXXHOGEH-PPQHMIFUSA-L HMDB0011673 02/07/2014 N-glycan synthesis mpdol_U beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol, human uterine homolog C1245H2040N20O220P20 -20 18396 CMBCFQGXXHOGEH-PPQHMIFUSA-L 02/07/2014 N-glycan synthesis mpept average_milk_derived_peptide X 0 02/07/2014 mphze Methanophenazine C37H50N2O C37H50N2O 0 02/07/2014 Methane metabolism mppp9 Mg-protoporphyrin IX (iMEO21, iAF692) C34H31N4O4Mg -1 08/03/2016 Porphyrin and chlorophyll metabolism mppp9mme Mg-Protoporphyrin IX 13-monomethyl ester C35H33N4O4Mg -1 C04536 08/03/2016 Porphyrin and chlorophyll metabolism MPT molybdopterin X 0 02/07/2014 mptp 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine, MPTP C12H15N 0 19/09/2018 Xenobiotics metabolism mql10 Menaquinol 10 C61H90O2 0 C05819 02/07/2014 mql11 Menaquinol 11 C66H98O2 0 C05819 02/07/2014 mql6 Menaquinol 6 C41H58O2 0 17/07/2015 Citric acid cycle mql7 Menaquinol 7 C46H66O2 0 C05819 02/07/2014 Citric acid cycle mql8 Menaquinol 8 C51H74O2 0 02/07/2014 Citric acid cycle mql9 Menaquinol 9 C56H82O2 0 C05819 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis mqn10 Menaquinone-10 C61H88O2 0 9988135 OCQQATZYCNAKQB-UHFFFAOYSA-N 02/07/2014 mqn11 Menaquinone-11 C66H96O2 0 6442190 YYDMANIEKFAEJC-UHFFFAOYSA-N 02/07/2014 mqn6 Menaquinone 6 C41H56O2 0 17/07/2015 Citric acid cycle mqn7 Menaquinone 7 C46H64O2 C46H64O2 0 C00828 5287554 16374 RAKQPZMEYJZGPI-LJWNYQGCSA-N 02/07/2014 Citric acid cycle mqn8 Menaquinone 8 C51H72O2 C51H72O2 0 C00828 5376507 16374 LXKDFTDVRVLXFY-UHFFFAOYSA-N CC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 02/07/2014 Citric acid cycle mqn9 Menaquinone-9 C56H80O2 0 6289935 WCRXHNIUHQUASO-UVZVDVBNSA-N 02/07/2014 mrctn Myricetin C15H9O8 -1 19/09/2018 Isoquinoline alkaloid biosynthesis mrna mRNA X 0 29/07/2024 Nucleotide interconversion mrphn Morphine C17H19NO3 0 19/09/2018 Drug metabolism mrphn_3glc Morphine 3-Glucuronide C23H27NO9 C23H27NO9 0 C16643 5484731 01/03/2019 Drug metabolism mrphn_6glc Morphine 6-Glucuronide C23H27NO9 C23H27NO9 0 C16578 5360621 01/03/2019 Drug metabolism mrphnn Morphinone C17H17NO3 0 19/09/2018 Xenobiotics metabolism msa 3-oxopropanoate C3H3O3 -1 C00222 868 17960 OAKURXIZZOAYBC-UHFFFAOYSA-M HMDB0011111 02/07/2014 Beta-alanine metabolism mso3 methanesulfonate CH3O3S -1 02/07/2014 Respiration mtethnpn 5,10-Methylenetetrahydromethanopterin C31H45N6O16P C31H42N6O16P -3 HMDB0060401 02/07/2014 Methane metabolism mthd Methylenediurea C3H8N4O2 0 19/09/2018 Xenobiotics metabolism mthgxl methylglyoxal C3H4O2 0 C00546 880 17158 AIJULSRZWUXGPQ-UHFFFAOYSA-N HMDB01167 02/07/2014 Glycine, serine, alanine, and threonine metabolism mthmcn Methymycin C25H44NO7 1 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides mthtcnt Methylitaconate C6H6O4 -2 19/09/2018 Nicotine degradation mtlt m-toluate C8H7O2 -1 19/09/2018 Benzoate degradation mtpp 3-methylthiopropionate X 0 02/07/2014 mtth4mpt 5,10-Methenyl-5,6,7,8-tetrahydromethanopterin C31H44N6O16P C31H41N6O16P -2 C04330 6982 17975 [H][C@]12[C@H](C)Nc3nc(N)[nH]c(=O)c3[N+]1=CN([C@@H]2C)c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(O)(=O)O[C@@H](CCC(O)=O)C... 02/07/2014 Methane metabolism mtym m-Tyramine C8H11NO C8H12NO 1 HMDB04989 19/07/2019 Drug metabolism mtz Metronidazole C6H9N3O3 C6H9N3O3 0 C07203 4173 01/03/2019 Drug metabolism mtz_glc Metronidazole Beta-D-Glucuronide C12H17N3O9 C12H16N3O9 -1 95162713 01/03/2019 Drug metabolism mucl mucolactone C6H6O4 C6H5O4 -1 C04105 6796 18080 OC(=O)CC1OC(=O)C=C1 02/07/2014 Benzoate degradation murein_lpp Braun lipoprotein conjugated with murein C385H645N102O139S2 0 02/07/2014 murein3p3p two linked disacharide tripeptide murein units (uncrosslinked, middle of chain) C68H104N12O38 -4 02/07/2014 Cell wall biosynthesis murein3p4p two linked disacharide tetrapeptide and tripeptide murein units (uncrosslinked, middle of chain) C71H107N13O38 -4 12/11/2020 Cell wall biosynthesis murein3px3p two disacharide linked murein units, tripeptide crosslinked tripeptide (A2pm->A2pm) (middle of chain) C68H102N12O37 -4 02/07/2014 murein3px4p two disacharide linked murein units, tripeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain) C71H107N13O38 -4 02/07/2014 Cell wall biosynthesis murein4p3p two linked disacharide tetrapeptide and tripeptide murein units (uncrosslinked, middle of chain) C71H109N13O39 -4 02/07/2014 murein4p4p two linked disacharide tetrapeptide murein units (uncrosslinked, middle of chain) C74H114N14O40 -4 02/07/2014 Cell wall biosynthesis murein4px4p two disacharide linked murein units, tetrapeptide corsslinked tetrapeptide (A2pm->D-ala) (middle of chain) C74H112N14O39 -4 02/07/2014 Cell wall biosynthesis murein4px4p4p three disacharide linked murein units (tetrapeptide crosslinked tetrapeptide (A2pm->D-ala), one uncrosslinked tetrapaptide) (mid... C111H169N21O59 -6 02/07/2014 Cell wall biosynthesis murein4px4px4p three disacharide linked murein units (tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) & tetrapeptide corsslinked tetrapepti... C111H167N21O58 -6 02/07/2014 Cell wall biosynthesis murein5p3p two linked disacharide pentapeptide and tripeptide murein units (uncrosslinked, middle of chain) C74H114N14O40 -4 02/07/2014 murein5p4p two linked disacharide pentapeptide and tetrapeptide murein units (uncrosslinked, middle of chain) C77H119N15O41 -4 02/07/2014 Cell wall biosynthesis murein5p5p two linked disacharide pentapeptide murein units (uncrosslinked, middle of chain) C80H124N16O42 -4 02/07/2014 murein5p5p5p three linked disacharide pentapeptide murein units (uncrosslinked, middle of chain) C120H186N24O63 -6 02/07/2014 murein5px3p two disacharide linked murein units, pentapeptide corsslinked tripeptide (A2pm->A2pm) (middle of chain) C74H112N14O39 -4 02/07/2014 murein5px4p two disacharide linked murein units, pentapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain) C77H117N15O40 -4 02/07/2014 Cell wall biosynthesis murein5px4px4p three disacharide linked murein units (pentapeptide crosslinked tetrapeptide (A2pm->D-ala) tetrapeptide corsslinked tetrapeptide... C114H172N22O59 -6 02/07/2014 mvlac Mevalonate-Lactone C6H10O3 0 5325923 JYVXNLLUYHCIIH-LURJTMIESA-N HMDB06024 03/01/2017 Cholesterol metabolism myctl Mycothiol C17H30N2O12S 0 19/09/2018 Xenobiotics metabolism myelin_hs Myelin Sheath X 0 03/01/2017 Glycerophospholipid metabolism myrcardlip_Bsub Myristoylcardiolipin (B. subtilis) X X 0 30/09/2014 myrsACP Myristoyl-ACP (n-C14:0ACP) C25H47N2O8PRS -1 C05761 50651 02/07/2014 Fatty acid oxidation myrstca1 Myristoyllipoteichoic acid (n=24), linked, unsubstituted C115H224O135P24 -24 02/07/2014 Cell wall biosynthesis myrstcaacgam Myristoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C307H536N24O255P24 -24 02/07/2014 Cell wall biosynthesis myrstcaala_D Myristoyllipoteichoic acid (n=24), linked, D-alanine substituted X C187H320N24O135P24 0 30/09/2014 Cell wall biosynthesis myrstcaglc Myristoyllipoteichoic acid (n=24), linked, glucose substituted X C259H464O255P24 -24 30/09/2014 Cell wall biosynthesis N_oh_phtn N-Hydroxylated Phenacetin C10H13NO3 C10H13NO3 0 01/03/2019 Drug metabolism N_oh_phtn_glc N-Hydroxylated Phenacetin Glucuronide C16H21NO9 C16H20NO9 -1 01/03/2019 Drug metabolism N1aspmd N(1)-acetylspermidinium(2+) C9H23N3O 2 C00612 496 17927 MQTAVJHICJWXBR-UHFFFAOYSA-P HMDB01276 02/07/2014 Arginine and proline metabolism N1sprm N(1)-acetylsperminium(3+) C12H31N4O 3 C02567 916 17312 GUNURVWAJRRUAV-UHFFFAOYSA-Q HMDB01186 02/07/2014 Urea cycle n2 Nitrogen N2 N2 0 HMDB01371 02/07/2014 Nitrogen metabolism n2m2masn ((N-acetyl-D-glucosaminyl)2-(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C50H83N4O35X 0 G00015 02/07/2014 N-glycan synthesis n2m2mn de-Fuc, reducing GlcNAc removed, de-Sia, de-Gal form of PA6 (w/o peptide linkage) C42H71N3O31 0 02/07/2014 N-glycan degradation n2m2nm n2m2nmasn (w/o peptide linkage) C58H97N5O41 0 02/07/2014 N-glycan degradation n2m2nmasn N-Acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,2-alpha-D-mannosyl-1,6)-(N-acetyl-beta-D-g... C58H96N5O40X 0 G00019 02/07/2014 N-glycan degradation n2m2nmn reducing GlcNAc removed form of n2m2nmasn (w/o peptide) C50H84N4O36 0 02/07/2014 N-glycan degradation n2o Nitrous oxide N2O 0 HMDB0035807 02/07/2014 Drug metabolism n2ppn 2_Nitropropane C3H7NO2 0 02/07/2014 n3adosamn N3-Acetyl-2-deoxystreptamine antibiotic C8H14N2O4R2 0 19/09/2018 Xenobiotics metabolism n3agmnc N3-Acetylgentamicin C C21H39N5O8R2 0 19/09/2018 Xenobiotics metabolism n3m2masn ((N-acetyl-D-glucosaminyl)3-(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C58H96N5O40X 0 02/07/2014 N-glycan synthesis n46dn Nonane-4,6-dione C9H16O2 0 19/09/2018 Xenobiotics metabolism n4abutn 4-acetamidobutanal C6H11NO2 0 C05936 440850 7386 DDSLGZOYEPKPSJ-UHFFFAOYSA-N HMDB04226 02/07/2014 Arginine and proline metabolism n4m2masn ((N-acetyl-D-glucosaminyl)4-(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C66H109N6O45X 0 02/07/2014 N-glycan synthesis n4pgmtn N4-Phosphoagmatine C5H14N4O3P -1 19/09/2018 Arginine and proline metabolism n5l1celorn N5-(L-1-Carboxyethyl)-L-ornithine C8H16N2O4 C8H16N2O4 0 19/09/2018 Arginine and proline metabolism n5m2masn ((N-acetyl-D-glucosaminyl)5-(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C74H122N7O50X 0 02/07/2014 N-glycan synthesis n5mg N5-methyl-L-glutamine C6H12N2O3 0 02/07/2014 n6all26d N6-Acetyl-LL-2,6-diaminoheptanedioate C9H15N2O5 -1 C04390 02/07/2014 Lysine metabolism n6alys N6-Acetyl-L-lysine C8H16N2O3 0 19/09/2018 Lysine metabolism n6odsglsmn N,6-O-Disulfo-D-glucosamine C6H11NO11S2 -2 19/09/2018 Heparan sulfate degradation n8aspmd N(8)-acetylspermidinium(2+) C9H23N3O 2 C01029 123689 27911 FONIWJIDLJEJTL-UHFFFAOYSA-P HMDB02189 02/07/2014 Arginine and proline metabolism na1 Sodium Na 1 C01330 923 29101 FKNQFGJONOIPTF-UHFFFAOYSA-N HMDB00588 02/07/2014 Butanoate metabolism nabggpptd N-Acetyl-beta-D-glucosaminyl-glycopeptide C8H14NO6R 0 19/09/2018 N-glycan degradation nac Nicotinate C6H4NO2 -1 C00253 938 15940 PVNIIMVLHYAWGP-UHFFFAOYSA-M HMDB01488 02/07/2014 NAD metabolism Nacasp N-acetyl-L-aspartate(2-) C6H7NO5 -2 C01042 65065 21547 OTCCIMWXFLJLIA-BYPYZUCNSA-L HMDB00812 02/07/2014 Alanine and aspartate metabolism Naccitr_L N-Acetyl-L-citrulline C8H15N3O4 0 HMDB00856 02/07/2014 Arginine and proline metabolism nacgbgdgc N-Acetyl-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-D- glucosylceramide C39H70N2O19 0 30/09/2018 naclbala N-Acetyl-beta-alanine C5H8NO3 -1 19/09/2018 Beta-alanine metabolism naclhis N-Acetyl-L-histidine C8H10N3O3 -1 19/09/2018 Histidine metabolism naclphe N-Acetyl-L-phenylalanine C11H12NO3 -1 19/09/2018 Phenylalanine metabolism Nacsertn N-acetylserotonin C12H14N2O2 0 C00978 903 17697 MVAWJSIDNICKHF-UHFFFAOYSA-N HMDB01238 02/07/2014 Tryptophan metabolism nacvanala N-Acetylvanilalanine C12H14NO5 -1 UKDKTHYZLXZOSS-UHFFFAOYSA-M 03/01/2017 Tyrosine metabolism nad Nicotinamide adenine dinucleotide C21H26N7O14P2 -1 C00003 5893 15846 BAWFJGJZGIEFAR-NNYOXOHSSA-M HMDB00902 02/07/2014 2-Oxocarboxylic acid metabolism nadh Nicotinamide adenine dinucleotide - reduced C21H27N7O14P2 -2 C00004 928 16908 BOPGDPNILDQYTO-NNYOXOHSSA-L HMDB01487 02/07/2014 2-Oxocarboxylic acid metabolism nadlantnlt N-Adenylylanthranilate C17H17N6O8P C17H17N6O8P -2 19/09/2018 Aminobenzoate degradation nadlphe N-Adenylyl-L-phenylalanine C19H21N6O8P -2 19/09/2018 Phenylalanine metabolism nadp Nicotinamide adenine dinucleotide phosphate C21H25N7O17P3 -3 C00006 5886 18009 XJLXINKUBYWONI-NNYOXOHSSA-K HMDB00217 02/07/2014 Alanine and aspartate metabolism nadph Nicotinamide adenine dinucleotide phosphate - reduced C21H26N7O17P3 -4 C00005 22833512 57783 ACFIXJIJDZMPPO-NCHANQSKSA-J HMDB00221 02/07/2014 Alanine and aspartate metabolism naglc2p_L N-Acetyl-D-glucosaminyldiphosphodolichol, human liver homolog C1160H1898N10O120P20 -20 C04500 11953837 18278 NSVKTXNITHYTDN-QQFUYBAXSA-L HMDB01445 02/07/2014 N-glycan synthesis naglc2p_U N-Acetyl-D-glucosaminyldiphosphodolichol, human uterine homolog C1105H1810N10O120P20 -20 18278 NSVKTXNITHYTDN-QQFUYBAXSA-L 02/07/2014 N-glycan synthesis naglsmn N-Acyl-D-glucosamine C7H12NO6R 0 19/09/2018 Aminosugar metabolism naglsmn6p N-Acyl-D-glucosamine 6-phosphate C7H12NO9PR -1 19/09/2018 Aminosugar metabolism namdnasp N-Amidino-L-aspartate C5H8N3O4 -1 19/09/2018 Alanine and aspartate metabolism namsmn N-Acyl-D-mannosamine C7H12NO6R 0 19/09/2018 Aminosugar metabolism namsmn6p N-Acyl-D-mannosamine 6-phosphate C7H12NO9PR -1 19/09/2018 Aminosugar metabolism namurea N-(Aminomethyl)urea C2H8N3O 1 19/09/2018 Nitrogen metabolism nanadmhis Nalpha,Nalpha-Dimethyl-L-histidine C8H13N3O2 0 19/09/2018 Methionine and cysteine metabolism nananatmhis Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine C9H15N3O2 0 19/09/2018 Methionine and cysteine metabolism naoddmp5p N-Acetyl-N6,O-didemethylpuromycin-5-phosphate C22H27N7O9P -1 19/09/2018 Xenobiotics metabolism naodmp5p N-Acetyl-O-demethylpuromycin-5-phosphate C23H29N7O9P -1 19/09/2018 Xenobiotics metabolism napheamn N-Acetylphenylethylamine C10H13NO 0 19/09/2018 Xenobiotics metabolism napht2hmsuccoa Naphthyl-2-hydroxymethyl-succinyl CoA C36H43N7O20P3S -5 C14118 01/07/2019 Xenobiotics metabolism napht2msucccoa Naphthyl-2-methylene-succinyl-CoA C36H41N7O19P3S -5 C14117 01/07/2019 Xenobiotics metabolism napqi NAPQI C8H7NO2 C8H7NO2 0 HMDB0060946 02/07/2014 nargnn Naringenin C15H12O5 C15H12O5 0 C00509 01/07/2019 natdmp5p N-Acetyl-N6,N6,O-tridemethylpuromycin-5-phosphate C21H25N7O9P -1 19/09/2018 Xenobiotics metabolism Nbfortyr N,N-bisformyl-dityrosine (iMM904) C20H22N2O8 -2 08/03/2016 Folate metabolism ncam Nicotinamide C6H6N2O 0 C00153 936 17154 DFPAKSUCGFBDDF-UHFFFAOYSA-N HMDB01406 02/07/2014 Miscellaneous ncamurea N-(Carboxyaminomethyl)urea C3H6N3O3 -1 19/09/2018 Nitrogen metabolism ncbmlscn N-Carbamoylsarcosine C4H7N2O3 -1 19/09/2018 Arginine and proline metabolism ncclrn Norcoclaurine C16H17NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis nchlphncl Nitrosochloramphenicol C11H12Cl2N2O4 C11H12Cl2N2O4 0 3035045 01/03/2019 Drug metabolism nclsdp Nucleoside phosphate C5H9O7PR -1 19/09/2018 Nucleotide interconversion ncptrc N-Carbamoylputrescine C5H14N3O 1 C00436 502 YANFYYGANIYHGI-UHFFFAOYSA-N HMDB0033458 02/07/2014 Arginine and proline metabolism ncrdcna Nocardicin A C23H23N4O9 -1 19/09/2018 Xenobiotics metabolism nctmn Nicotianamine C12H20N3O6 -1 19/09/2018 Methionine and cysteine metabolism ndersv N-desmethyl-rosuvastatin C42H50CaF2N6O12S2 C42H48CaF2N6O12S2 -2 02/07/2014 Drug metabolism Ndmelys Protein N6,N6-dimethyl-L-lysine C2H7X 2 C05545 4478779 XXEWFEBMSGLYBY-UHFFFAOYSA-N HMDB0013287 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism ndp Nucleoside diphosphate C5H9O10P2R -2 19/09/2018 Nucleotide interconversion nebari Nebularine C10H12N4O4 0 02/07/2014 Purine catabolism nedrn Norephedrine C9H14NO 1 C02343 30/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism neopront Neoprontosil C18H16N4O10S3 C18H14N4O10S3 -2 5478154 01/03/2019 Drug metabolism neulacnttr Sialyllacto-N-tetraose (HMO, PMID: 17002410) C37H62N2O29 C37H61N2O29 -1 HMDB06589 02/07/2014 neuromelanin Neuromelanin X 0 SGNZYJXNUURYCH-UHFFFAOYSA-N 03/01/2017 nfd Nifedipine C17H18N2O6 C17H18N2O6 0 D00437 4485 HMDB0015247 02/07/2014 Drug metabolism nfdac acid metabolite of nifedipine C16H14N2O6 C16H13N2O6 -1 02/07/2014 Drug metabolism nfdlac lactone form of nifedipine C16H12N2O6 C16H12N2O6 0 02/07/2014 Drug metabolism nfdnpy Nitropyridine metabolite of nifedipine C17H16N2O6 C17H16N2O6 0 02/07/2014 Drug metabolism nfdoh hydroxy metabolite of nifedipine C16H14N2O7 C16H13N2O7 -1 02/07/2014 Drug metabolism nflasp N-Formyl-L-aspartate C5H7NO5 C5H5NO5 -2 19/09/2018 Histidine metabolism nflmaatrna N-Formyl-L-methionylaminoacyl-tRNA C23H34N2O19P2R4S -2 19/09/2018 Methionine and cysteine metabolism nfmmt N-Formyl maleamic acid C5H4NO4 -1 19/09/2018 Nicotine degradation nfmnlasp N-Formimino-L-aspartate C5H7N2O4 -1 19/09/2018 Xenobiotics metabolism nforglu N-Formyl-L-glutamate C6H9NO5 C6H7NO5 -2 HMDB03470 02/07/2014 Folate metabolism nformanth N-formylanthranilate C8H6NO3 -1 C05653 101399 36575 LLLPDUXGHXIXIW-UHFFFAOYSA-M HMDB04089 02/07/2014 Tryptophan metabolism Nfortyr N-Formyl-L-tyrosine (iMM904) C10H10NO4 -1 08/03/2016 Folate metabolism ngadabut N-gamma-Acetyldiaminobutyrate C6H12N2O3 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism nglnt Nogalonic acid C20H13O8 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism nglntme Nogalonic acid methyl ester C21H16O8 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism nh3 Ammonia X 0 02/07/2014 nh4 Ammonium H4N 1 C00014 222 28938 QGZKDVFQNNGYKY-UHFFFAOYSA-O HMDB00051 02/07/2014 Alanine and aspartate metabolism nh4oh Ammonium hydroxide H5NO H5NO 0 C01358 4561 18219 [NH4+].[OH-] 16/07/2014 ni2 nickel Ni 2 C19609 934 VEQPNABPJHWNSG-UHFFFAOYSA-N HMDB02457 02/07/2014 nicrns Nicotinate D-ribonucleoside C11H13NO6 0 C05841 161234 27748 PUEDDPCUCPRQNY-ZYUZMQFOSA-N HMDB06809 02/07/2014 NAD metabolism nicrnt Nicotinate D-ribonucleotide C11H12NO9P -2 C01185 53477721 57502 JOUIQRNQJGXQDC-ZYUZMQFOSA-L HMDB01132 02/07/2014 NAD metabolism nifedipine nifedipine C17H18N2O6 0 C07266 4485 7565 HYIMSNHJOBLJNT-UHFFFAOYSA-N 02/07/2014 Cytochrome metabolism nipamld N-Isopropylammelide C6H10N4O2 0 19/09/2018 Atrazine degradation nm2masn (N-acetyl-D-glucosaminyl-(alpha-D-mannosyl)2-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C42H70N3O30X 0 C05884 02/07/2014 N-glycan synthesis nm4masn (N-acetyl-D-glucosaminyl-(alpha-D-mannosyl)4-beta-D-mannosyl-diacetylchitobiosyl)-L-asparagine (protein) C54H90N3O40X 0 C05882 02/07/2014 N-glycan synthesis nmanth N-Methylanthranilate C8H8NO2 -1 C03005 01/07/2019 Aminobenzoate degradation nmanthcoa N-Methylanthraniloyl-CoA C29H39N8O17P3S -4 C12092 01/07/2019 Aminobenzoate degradation nmantnlt N-Malonylanthranilate C10H7NO5 -2 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism Nmelys Histone N6-methyl-L-lysine CXH4 1 C03702 02/07/2014 nmlala N-Methyl-L-alanine C4H9NO2 0 19/09/2018 nmn NMN C11H14N2O8P -1 C00455 14180 16171 DAYLJWODMCOQEW-TURQNECASA-M HMDB00229 02/07/2014 NAD metabolism nmptrc N-methylputrescinium(2+) C5H16N2 2 C02723 439791 17166 RMIVMBYMDISYFZ-UHFFFAOYSA-P HMDB03661 02/07/2014 Alkaloid synthesis nmth2ogltmt N-Methyl-2-oxoglutaramate C6H8NO4 C6H8NO4 -1 19/09/2018 Primary amine metabolism nmthmcn Neomethymycin C25H44NO7 1 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides nmthsrtn N-Methylserotonin C11H15N2O 1 C06212 150885 48294 ASUSBMNYRHGZIG-UHFFFAOYSA-O HMDB04369 02/07/2014 Tryptophan metabolism Nmtrp N-Methyltryptophan C12H14N2O2 0 02/07/2014 nndmanlno N,N-Dimethylaniline N-oxide C8H11NO 0 19/09/2018 Xenobiotics metabolism no Nitric oxide NO 0 C00533 145068 16480 MWUXSHHQAYIFBG-UHFFFAOYSA-N HMDB03378 02/07/2014 Arginine and proline metabolism no2 Nitrite NO2 -1 C00088 946 16301 IOVCWXUNBOPUCH-UHFFFAOYSA-M HMDB02786 02/07/2014 Miscellaneous no3 Nitrate NO3 -1 HMDB02878 02/07/2014 Nitrogen metabolism noncoa nonanoylcoa C30H48N7O17P3S -4 C01942 439607 27770 WLDUTYVSAGSKIV-FUEUKBNZSA-J HMDB13028 02/07/2014 Fatty acid oxidation normete_L L-Normetanephrine C9H14NO3 1 C05589 1237 144308 YNYAYWLBAHXHLL-QMMMGPOBSA-N HMDB00819 02/07/2014 Tyrosine metabolism norval_L L-Norvaline C5H11NO2 C5H10NO2 -1 C01826 25/09/2019 Valine, leucine, and isoleucine metabolism np2msucc Naphthyl-2-methyl-succinic acid C15H14O4 C15H12O4 -2 02/07/2014 Naphthalene degradation np2msucccoa Naphthyl-2-methyl-succinyl-CoA C36H48N7O19P3S C36H43N7O19P3S -5 C14116 02/07/2014 Naphthalene degradation npepox (1R,2S)-Naphthalene epoxide C10H8O 0 19/09/2018 Glutathione metabolism npgnemp N-Phosphoguanidinoethyl methyl phosphate C4H11N3O7P2 -2 19/09/2018 Xenobiotics metabolism npn Neopinone C18H19NO3 0 19/09/2018 nprnlhb Nonaprenyl-4-hydroxybenzoate C52H77O3 -1 19/09/2018 Terpenoid backbone biosynthesis nprsphis Protein N-pros-phosphohistidine C7H7N4O5PR2 -2 19/09/2018 Histone phosphorylation npthl naphthalene C10H8 0 C00829 931 16482 UFWIBTONFRDIAS-UHFFFAOYSA-N HMDB0029751 02/07/2014 Cytochrome metabolism nrbld Narbonolide C20H32O5 0 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides nrbmcn Narbomycin C28H48NO7 1 19/09/2018 Biosynthesis of 12-, 14- and 16-membered macrolides nrgn Naringenin C15H12O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism nrjmln Norajmaline C19H25N2O2 1 19/09/2018 Indole alkaloid biosynthesis nrpphr Norepinephrine C8H12NO3 1 C00547 439260 18357 SFLSHLFXELFNJZ-QMMMGPOBSA-O HMDB00216 02/07/2014 Tyrosine metabolism nrpphrsf Sulfate derivative of norepinephrine C8H11NO6S 0 123747 CVJMZWLHUCMEKO-ZETCQYMHSA-N HMDB02062 02/07/2014 Tyrosine metabolism nrvnc nervonate C24H45O2 -1 C08323 5281120 44247 GWHCXVQVJPWHRF-KTKRTIGZSA-M HMDB02368 02/07/2014 Fatty acid synthesis nrvnccoa nervonyl coenzyme A C45H76N7O17P3S -4 C16532 24892792 QHZAQVTVYPHLKK-YVBAAGQKSA-J HMDB0060237 02/07/2014 Fatty acid oxidation nrvnccrn Nervonyl carnitine C31H59NO4 0 QGIHQXKFCAACHN-LJAQVGFWSA-N 02/07/2014 Fatty acid oxidation nsd5p Nucleoside 5-phosphate C5H9O7PR -1 19/09/2018 Nucleotide interconversion nsldp_m5 Nisoldipine (M5) C19H20N2O8 C19H19N2O8 -1 91668156 01/03/2019 Drug metabolism nsldp_m5_glc Nisoldipine (M5) Glucuronide C25H28N2O14 C25H27N2O14 -1 01/03/2019 Drug metabolism nsprn Neurosporene C40H58 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism ntl Nitrile CNR 0 19/09/2018 Glutathione metabolism ntm2amep N-Trimethyl-2-aminoethylphosphonate C5H13NO3P -1 C06459 151927 7347 VCANKBLUHKRQLL-UHFFFAOYSA-M 02/07/2014 Glycerophospholipid metabolism Ntmelys Protein N6,N6,N6-trimethyl-L-lysine C3H10X 3 C05546 02/07/2014 Flavonoid, isoflavonoid, and polyphenol metabolism ntp Nucleoside triphosphate C5H9O13P3R -3 19/09/2018 Nucleotide interconversion nverp Norverapamil C26H36N2O4 C26H37N2O4 1 104972 01/03/2019 Drug metabolism nverp_glc Norverapamil Glucuronide C32H44N2O10 C32H43N2O10 -1 71751261 01/03/2019 Drug metabolism nwharg N-(omega)-Hydroxyarginine C6H15N4O3 1 C05933 440849 7101 FQWRAVYMZULPNK-UHFFFAOYSA-O HMDB04224 02/07/2014 Arginine and proline metabolism nxthn Neoxanthin C40H56O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism nzp Nitrazepam, Benzalin, Neozepam C15H11N3O3 C15H11N3O3 0 D00531 4506 01/03/2019 Drug metabolism o16a2und (O16 antigen)x2 undecaprenyl diphosphate C123H200N2O57P2 -2 02/07/2014 Cell wall biosynthesis o16a3und (O16 antigen)x3 undecaprenyl diphosphate C157H255N3O82P2 -2 02/07/2014 Cell wall biosynthesis o16a4colipa (O16 antigen)x4 core oligosaccharide lipid A C312H523N6O200P4 -11 02/07/2014 o16a4und (O16 antigen)x4 undecaprenyl diphosphate C191H310N4O107P2 -2 02/07/2014 Cell wall biosynthesis o16aund O16 antigen undecaprenyl diphosphate C89H145N1O32P2 -2 02/07/2014 Cell wall biosynthesis o2 O2 O2 0 C00007 977 15379 MYMOFIZGZYHOMD-UHFFFAOYSA-N HMDB01377 02/07/2014 Alanine and aspartate metabolism o2_ Superoxide O2 0 02/07/2014 o2s superoxide O2 -1 C00704 5359597 18421 OUUQCZGPVNCOIJ-UHFFFAOYSA-M HMDB02168 02/07/2014 Androgen and estrogen synthesis and metabolism OA_ST OA_ST[p] X 0 02/07/2014 oaa Oxaloacetate C4H2O5 -2 C00036 970 30744 KHPXUQMNIQBQEV-UHFFFAOYSA-L HMDB00223 02/07/2014 Alanine and aspartate metabolism oacrntn O-Acylcarnitine C8H14NO4R 0 19/09/2018 Fatty acid oxidation oagd3_hs 9-O-Acetylated GD3 C54H90N3O29FULLRCO -2 02/07/2014 Sphingolipid metabolism oagt3_hs 9-O-Acetylated GT3 C65H106N4O37FULLRCO -3 02/07/2014 Sphingolipid metabolism oaptrpn O-Acylpseudotropine C9H14NO2R 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis oazur Oxidized azurin X X 2 30/09/2014 Nitrogen metabolism obtsfl Obtusifoliol C30H50O 0 19/09/2018 Xenobiotics metabolism oc2coa trans-Oct-2-enoyl-CoA C29H44N7O17P3S -4 02/07/2014 Fatty acid synthesis ocACP Octanoyl-ACP (n-C8:0ACP) C19H35N2O8PRS -1 02/07/2014 Fatty acid oxidation ocblsrn O-Carbamoyl-L-serine C4H8N2O4 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism occoa Octanoyl-CoA (n-C8:0CoA) C29H46N7O17P3S -4 C01944 380 57386 KQMZYOXOBSXMII-ISFBVWQPSA-J HMDB01070 02/07/2014 Fatty acid oxidation ocdacp Octadecanoyl_acyl_carrier_protein C18H34OX 0 02/07/2014 ocdca octadecanoate (n-C18:0) C18H35O2 -1 C01530 5281 28842 QIQXTHQIDYTFRH-UHFFFAOYSA-M HMDB00827 02/07/2014 Fatty acid oxidation ocdcaACP Octadecanoyl-ACP (n-C18:0ACP) C29H55N2O8PRS -1 02/07/2014 Fatty acid oxidation ocdcea octadecenoate (n-C18:1) C18H33O2 -1 C00712 445639 30823 ZQPPMHVWECSIRJ-KTKRTIGZSA-M HMDB00207 02/07/2014 Fatty acid oxidation ocdcya octadecadienoate (n-C18:2) C18H31O2 -1 25626 OYHQOLUKZRVURQ-HZJYTTRNSA-M 02/07/2014 Fatty acid oxidation ocdcyaACP Octadecynoyl-ACP (n-C18:2ACP) C29H51N2O8PRS -1 02/07/2014 Fatty acid oxidation ocde9ecoa 9-octadecenoylcoa C39H64N7O17P3S -4 C00510 5280355 15534 XDUHQPOXLUAVEE-BPMMELMSSA-J HMDB01322 02/07/2014 Fatty acid oxidation ocdececrn 11-octadecenoyl carnitine C25H47NO4 0 53477830 HITOYGLMAFIRNI-YSESTWPTSA-N HMDB06351 02/07/2014 Fatty acid oxidation ocdycacoa Octadecynoyl-CoA (iND750) C39H63N7O17P3S -3 08/03/2016 Fatty acid oxidation ochladnt 12alpha-Hydroxy-3-oxochola-4,6-dienoate C24H33O4 -1 19/09/2018 Bile acid metabolism ocmhmxbq 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone C48H72O4 C48H71O4 -1 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis octa octanoate (n-C8:0) C8H15O2 -1 C06423 379 28837 WWZKQHOCKIZLMA-UHFFFAOYSA-M HMDB00482 02/07/2014 Fatty acid oxidation octacp Octanoyl_acyl_carrier_protein C8H14OX 0 02/07/2014 octd11ecoa 11-octadecenoylcoa C39H64N7O17P3S -4 HEJOXXLSCAQQGQ-SAIINBSPSA-J 02/07/2014 Fatty acid oxidation octdececoa octadecenoylcoa C39H64N7O17P3S -4 SIARJEKBADXQJG-RPMKQXNNSA-J 02/07/2014 Fatty acid oxidation octdececrn octadecenoyl carnitine (hypothetical, position of double bond unknown) C25H47NO4 0 02/07/2014 Fatty acid oxidation octdp all-trans-Octaprenyl diphosphate C40H65O7P2 -3 02/07/2014 Cholesterol metabolism octe5coa 5-octenoylcoa C29H44N7O17P3S -4 HVXFSYIMAAXCIV-UTHBTJAGSA-J 02/07/2014 Fatty acid oxidation octeACP cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) C29H53N2O8PRS -1 02/07/2014 Fatty acid oxidation od2coa trans-Octadec-2-enoyl-CoA C39H64N7O17P3S -4 C16218 53477850 50570 NBCCUIHOHUKBMK-ZDDAFBBHSA-J HMDB06529 02/07/2014 Fatty acid metabolism odecoa Octadecenoyl-CoA (n-C18:1CoA) C39H64N7O17P3S -4 C00510 5280355 15534 XDUHQPOXLUAVEE-BPMMELMSSA-J HMDB01322 02/07/2014 Fatty acid oxidation odecrn octadecenoyl carnitine C25H47NO4 0 46907933 IPOLTUVFXFHAHI-QHCPKHFHSA-N HMDB05065 02/07/2014 Fatty acid oxidation odmmrctn 3,5-O-Dimethylmyricetin C17H13O8 -1 19/09/2018 Methionine and cysteine metabolism odsm_egltmn O-Desmethylepigalantamine C16H19NO3 C16H20NO3 1 01/03/2019 Drug metabolism odsm_egltmn_glc O-Desmethylepigalantamine Glucuronide C22H27NO9 C22H27NO9 0 01/03/2019 Drug metabolism odsm_gltmn O-Desmethylgalantamine C16H19NO3 C16H20NO3 1 443722 01/03/2019 Drug metabolism odsm_gltmn_glc O-Desmethylgalantamine Glucuronide C22H27NO9 C22H27NO9 0 01/03/2019 Drug metabolism ofbnzt o-Formylbenzoic acid C8H5O3 -1 19/09/2018 Xenobiotics metabolism oferlqnt O-Feruloylquinate C17H19O9 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism oh alcohol HOR 0 19/09/2018 Galactose metabolism oh_etr Etravarine Monohydroxylated (M1, M2, M3) C20H15BrN6O2 C20H15BrN6O2 0 71750800 01/03/2019 Drug metabolism oh_etr_glc Etravarine Monohydroxylated Glucuronide (M7) C26H23BrN6O8 C26H23BrN6O8 0 01/03/2019 Drug metabolism oh_pbl P-Hydroxyphenobarbital C12H12N2O4 C12H11N2O4 -1 01/03/2019 Drug metabolism oh_pbl_glc Phenobarbital O-Glucuronide C18H20N2O10 C18H18N2O10 -2 01/03/2019 Drug metabolism oh1 hydroxide ion HO -1 C01328 961 16234 XLYOFNOQVPJJNP-UHFFFAOYSA-M HMDB01039 02/07/2014 ohpb 2-Oxo-3-hydroxy-4-phosphobutanoate C4H4O8P -3 02/07/2014 Vitamin B6 metabolism oleth Oleoyl Ethanolamide C20H39NO2 0 5283454 BOWVQLFMWHZBEF-KTKRTIGZSA-N HMDB02088 03/01/2017 Glycerophospholipid metabolism oligofru4 Oligofructose, polymerization average 4 units of beta-2,1-fructose per chain C24H40O20 0 02/07/2014 Plant polysaccharide degradation olsa Olsalazine C14H10N2O6 C14H8N2O6 -2 C07323 6003770 01/03/2019 Drug metabolism omacmbn O-Methylandrocymbine C22H27NO5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism omeprazole omeprazole C17H19N3O3S 0 C07324 4594 7772 SUBDBMMJDZJVOS-UHFFFAOYSA-N HMDB01913 02/07/2014 Cytochrome metabolism omhdecacid w-hydroxydecanoicacid C10H19O3 -1 YJCJVMMDTBEITC-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation omhdocosac w-hydroxydocosanoicacid C22H42O3 -1 C19623 5282922 IBPVZXPSTLXWCG-UHFFFAOYSA-M 02/07/2014 Fatty acid oxidation omhpal w-hydroxypalmiticacid C16H30O3 -1 7058075 55329 HMDB06294 02/07/2014 ommrctn 3-O-Methylmyricetin C16H11O8 -1 19/09/2018 Isoquinoline alkaloid biosynthesis omthhxnt 2-Oxo-6-methylthiohexanoic acid C7H12O3S 0 19/09/2018 Glucosinolate biosynthesis omthnnsln 6-O-Methylnorlaudanosoline C17H19NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis omthtdcnt 2-Oxo-10-methylthiodecanoic acid C11H20O3S 0 19/09/2018 Glucosinolate biosynthesis onpthl naphthalene epoxide C10H8O 0 108063 52431 XQIJIALOJPIKGX-UHFFFAOYSA-N HMDB06215 02/07/2014 Cytochrome metabolism op4en 2-Oxopent-4-enoate C5H5O3 -1 02/07/2014 Phenylalanine metabolism opeslfnt 2-(2-Oxopropylthio)ethanesulfonate C5H9O4S2 -1 19/09/2018 Sulfur metabolism opvoh oxidized polyvinyl alcohol C2H4O 0 19/09/2018 orcnl Orcinol C7H8O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism oretn 4-oxo-retinoic acid C20H27O3 -1 C16678 104857 269971 GGCUJPCCTQNTJF-FRCNGJHJSA-M HMDB06285 02/07/2014 Vitamin A metabolism orn Ornithine C5H13N2O2 1 C00077 6262 15729 AHLPHDHHMVZTML-BYPYZUCNSA-O HMDB00214 02/07/2014 Arginine and proline metabolism orn_D D-ornithinium(1+) C5H13N2O2 1 C00515 71082 16176 AHLPHDHHMVZTML-SCSAIBSYSA-O HMDB03374 02/07/2014 Arginine and proline metabolism orn_L L_Ornithine X 0 02/07/2014 orot Orotate C5H3N2O4 -1 C00295 967 16742 PXQPEWDEAKTCGB-UHFFFAOYSA-M HMDB00226 02/07/2014 Pyrimidine catabolism orot5p Orotidine 5-phosphate C10H10N2O11P -3 C01103 160617 15842 KYOBSHFOBAOFBF-XVFCMESISA-K HMDB00218 02/07/2014 Pyrimidine synthesis orslnt Orsellinate C8H7O4 C8H7O4 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism oxa oxalate(2-) C2O4 -2 C00209 971 16995 MUBZPKHOEPUJKR-UHFFFAOYSA-L HMDB02329 02/07/2014 Glyoxylate and dicarboxylate metabolism oxadpcoa 3-Oxoadipyl-CoA C27H37N7O20P3S -5 C02232 9543153 VKKKAAPGXHWXOO-BIEWRJSYSA-N HMDB0060378 02/07/2014 Benzoate degradation oxag Oxaloglutarate (iMM904) C7H5O7 -3 C05533 08/03/2016 2-Oxocarboxylic acid metabolism oxal oxalate X 0 02/07/2014 oxalc 4-Oxalocrotonate C6H6O5 C6H4O5 -2 02/07/2014 Benzoate degradation oxam Oxamate C2H2NO3 -1 02/07/2014 Others oxasucc Oxalosuccinate C6H6O7 C6H3O7 -3 02/07/2014 oxcoa oxalyl-CoA C23H36N7O19P3S C23H32N7O19P3S -4 02/07/2014 Glyoxylate and dicarboxylate metabolism oxglyc Oxaloglycolate C4H4O6 C4H2O6 -2 02/07/2014 Glyoxylate and dicarboxylate metabolism oxomppp9mme 13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester C35H31N4O5Mg -1 08/03/2016 Porphyrin and chlorophyll metabolism oxptn 5-Oxopentanoate C5H8O3 C5H7O3 -1 C03273 439963 39153 VBKPPDYGFUZOAJ-UHFFFAOYSA-N [H]C(=O)CCCC(O)=O HMDB0012233 02/07/2014 Lysine metabolism oxur Oxalureate C3H3N2O4 -1 02/07/2014 Others oxy1rb oxypurinol-1-riboside C10H12N4O7 C10H12N4O7 0 02/07/2014 Drug metabolism oxy7rb oxypurinol-7-riboside C10H12N4O7 C10H12N4O7 0 6336410 CYQFEGWHROFKNL-NTRJPUSZSA-N 02/07/2014 Drug metabolism oxyp oxypurinol C5H4N4O2 C5H4N4O2 0 HXNFUBHNUDHIGC-UHFFFAOYSA-N 02/07/2014 Drug metabolism p4d3tetrlsnt Phosphoenol-4-deoxy-3-tetrulosonate C4H5O7P -2 19/09/2018 Glycolysis/gluconeogenesis pa_Hp Phosphatidic acid Hp specific C36H67O8P -2 17/07/2015 pa_hs phosphatidate(2-) C3H5O4PFULLRCO2FULLR2CO2 -2 57739 02/07/2014 Glycerophospholipid metabolism pa_LLA phosphatidic_acid__Lactis_specific_ C3720H6898O800P100 0 02/07/2014 pa_LPL phosphatidic_acid__Lb_plantarum_specific_ X 0 02/07/2014 pa120 1,2-didodecanoyl-sn-glycerol 3-phosphate C27H51O8P1 -2 02/07/2014 Fatty acid synthesis pa140 1,2-ditetradecanoyl-sn-glycerol 3-phosphate C31H59O8P1 -2 02/07/2014 Glycerophospholipid metabolism pa141 1,2-ditetradec-7-enoyl-sn-glycerol 3-phosphate C31H55O8P1 -2 02/07/2014 Glycerophospholipid metabolism pa160 1,2-dihexadecanoyl-sn-glycerol 3-phosphate C35H67O8P1 -2 02/07/2014 Glycerophospholipid metabolism pa161 1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate C35H63O8P1 -2 02/07/2014 Fatty acid synthesis pa180 1,2-dioctadecanoyl-sn-glycerol 3-phosphate C39H75O8P1 -2 02/07/2014 Glycerophospholipid metabolism pa181 1,2-dioctadec-11-enoyl-sn-glycerol 3-phosphate C39H71O8P1 -2 02/07/2014 Fatty acid synthesis pa2_ST Membrane phosphatidate mixture X 0 02/07/2014 paai15 1,2-dianteisopentadecanoyl-sn-glycerol 3-phosphate (12-methyl-tetradecanoyl, anteiso-C15) C33H63O8P -2 02/07/2014 Glycerophospholipid metabolism paai17 1,2-dianteisoheptadecanoyl-sn-glycerol 3-phosphate (14-methyl-hexadecanoyl, anteiso-C17) C37H71O8P -2 02/07/2014 Glycerophospholipid metabolism pac phenylacetate C8H7O2 -1 C07086 999 30745 WLJVXDMOQOGPHL-UHFFFAOYSA-M HMDB00209 02/07/2014 Arginine and proline metabolism pacald phenylacetaldehyde C8H8O 0 C00601 998 16424 DTUQWGWMVIHBKE-UHFFFAOYSA-N HMDB06236 02/07/2014 Miscellaneous pacaldhom (Z)-Phenylacetaldehyde oxime C8H9NO 0 19/09/2018 Cyanoamino acid metabolism pad 2-Phenylacetamide C8H9NO C8H9NO 0 HMDB0010715 02/07/2014 Arginine and proline metabolism paf_hs 1-alkyl 2-acteylglycerol 3-phosphocholine C11H23O4NPFULLRCO2 0 C04598 16759362 36707 ZBOQHUSCQCEBGK-JLRCLJKCSA-N HMDB0011148 02/07/2014 Glycerophospholipid metabolism pai14 1,2-diisotetradecanoyl-sn-glycerol 3-phosphate (12-methyl-tridecanoyl, iso-C14) C31H59O8P -2 02/07/2014 Glycerophospholipid metabolism pai15 1,2-diisopentadecanoyl-sn-glycerol 3-phosphate (13-methyl-tetradecanoyl, iso-C15) C33H63O8P -2 02/07/2014 Glycerophospholipid metabolism pai16 1,2-diisohexadecanoyl-sn-glycerol 3-phosphate (14-methyl-pentadecanoyl, iso-C16) C35H67O8P -2 02/07/2014 Glycerophospholipid metabolism pai17 1,2-diisoheptadecanoyl-sn-glycerol 3-phosphate (15-methyl-hexadecanoyl, iso-C17) C37H71O8P -2 02/07/2014 Glycerophospholipid metabolism pail_hs 1-phosphatidyl-1D-myo-inositol(1-) C9H16O9PFULLRCO2FULLR2CO2 -1 57880 02/07/2014 Cholesterol metabolism pail345p_hs 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) C9H13O18P4FULLRCO2FULLR2CO2 -7 C05981 57836 RQQIRMLGKSPXSE-UQPICLANSA-N HMDB04249 02/07/2014 Inositol phosphate metabolism pail34p_hs 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) C9H14O15P3FULLRCO2FULLR2CO2 -5 C11554 57658 02/07/2014 Inositol phosphate metabolism pail35p_hs 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) C9H14O15P3FULLRCO2FULLR2CO2 -5 C11556 57923 02/07/2014 Inositol phosphate metabolism pail3p_hs 1-phosphatidyl-1D-myo-inositol 3-phosphate(3-) C9H15O12P2FULLRCO2FULLR2CO2 -3 C04549 6857403 58088 YKMGQFUXYYTRLF-SLJXNWFNSA-N HMDB03850 02/07/2014 Inositol phosphate metabolism pail45p_hs phosphatidylinositol 4,5-bisphosphate C9H14O15P3FULLRCO2FULLR2CO2 -5 C04637 28910 02/07/2014 Glycerophospholipid metabolism pail4p_hs 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) C9H15O12P2FULLRCO2FULLR2CO2 -3 C01277 58178 02/07/2014 Glycerophospholipid metabolism pail5p_hs 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) C9H15O12P2FULLRCO2FULLR2CO2 -3 C11557 57795 02/07/2014 Inositol phosphate metabolism pailar_hs 1-Arachidonoylglycerophosphoinositol C29H48O12P -1 LXUGKKVCSTYZFK-VYESIODOSA-M 03/01/2017 Cholesterol metabolism pailpalm_hs 1-Palmitoylglycerophosphoinositol C25H48O12P -1 UOXRPRZMAROFPH-OAOCPRPWSA-M 03/01/2017 Cholesterol metabolism pailste_hs 1-Stearoylglycerophosphoinositol C27H52O12P -1 MXAFDFDAIFZFET-CZDOQZASSA-M 03/01/2017 Cholesterol metabolism Pald Phosphonoacetaldehyde C2H3O4P1 0 02/07/2014 palmACP Palmitoyl-ACP (n-C16:0ACP) C27H51N2O8PRS -1 C05764 5697 02/07/2014 Fatty acid oxidation palmcardlip_Bsub Palmitoylcardiolipin (B. subtilis) X X 0 30/09/2014 palmtca1 Palmitoyllipoteichoic acid (n=24), linked, unsubstituted C119H232O135P24 -24 02/07/2014 Cell wall biosynthesis palmtcaacgam Palmitoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C311H544N24O255P24 -24 02/07/2014 Cell wall biosynthesis palmtcaala_D Palmitoyllipoteichoic acid (n=24), linked, D-alanine substituted X C191H328O135N24P24 0 30/09/2014 Cell wall biosynthesis palmtcaglc Palmitoyllipoteichoic acid (n=24), linked, glucose substituted X C263H472O255P24 -24 30/09/2014 Cell wall biosynthesis pan4p Pantetheine 4-phosphate C11H21N2O7PS -2 C01134 987 16858 JDMUPRLRUUMCTL-UHFFFAOYSA-L HMDB01416 02/07/2014 CoA catabolism pant_R (R)-Pantoate C6H11O4 -1 02/07/2014 CoA catabolism pap adenosine 3,5-bismonophosphate(4-) C10H11N5O10P2 -4 C00054 159296 17985 WHTCPDAXWFLDIH-KQYNXXCUSA-J HMDB00061 02/07/2014 Bile acid synthesis paps Phosphoadenosine phosphosulfate C10H11N5O13P2S -4 C00053 10214 17980 GACDQMDRPRGCTN-KQYNXXCUSA-J HMDB01134 02/07/2014 Bile acid synthesis ParetoOpt test pareto X X 0 02/07/2014 pb Lead Pb 2 HMDB04628 02/07/2014 pbdxzntn O-beta-D-Xyloxylzeatin C15H21N5O5 0 19/09/2018 Zeatin biosynthesis pchol_hs Phosphatidylcholine C8H18NO4PFULLRCO2FULLR2CO2 0 02/07/2014 Cholesterol metabolism pchol2linl_hs 2-Linoleoylglycerophosphocholine C26H51NO7P 0 XFUBHUALKATHPX-AYTACHTASA-O 03/01/2017 Cholesterol metabolism pchol2ole_hs 2-Oleoylglycerophosphocholine C26H53NO7P 0 SULIDBRAXVDKBU-SEYXRHQNSA-O 03/01/2017 Cholesterol metabolism pchol2palm_hs 2-Palmitoylglycerophosphocholine C24H51NO7P 0 AGHWJZIEMKQLQP-JOCHJYFZSA-N 03/01/2017 Cholesterol metabolism pchol2ste_hs 2-Stearoylglycerophosphocholine C26H55NO7P 0 ARQYPVZFUYHQFR-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism pcholar_hs 1-Arachidonoyl-Glycero-3-Phosphocholine C28H51NO7P 0 LAXQYRRMGGEGOH-CMSATSMOSA-O 03/01/2017 Cholesterol metabolism pcholdoc_hs 1-Docosahexaenoylglycerophosphocholine C34H59NO7P 0 GIGKZZCXYJVNSX-UMVCUSMKSA-O 03/01/2017 Cholesterol metabolism pcholeic_hs 1-Eicosadienoylglycerophosphocholine (Delta 11,14) C28H55NO7P 0 YYQVCMMXPIJVHY-UTJQPWESSA-O 03/01/2017 Cholesterol metabolism pcholet_hs 1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17) C28H53NO7P 0 XUDGAAFUMTTZCO-SAAUORLLSA-O 03/01/2017 Cholesterol metabolism pcholhep_hs 1-Heptadecanoylglycerophosphocholine C25H53NO7P 0 C04230 24779463 SRRQPVVYXBTRQK-DEOSSOPVSA-O HMDB0012108 03/01/2017 Cholesterol metabolism pchollinl_hs 1-Linoleoylglycerophosphocholine (Delta 9,12) C26H51NO7P 0 SPJFYYJXNPEZDW-YMVLYFQPSA-O 03/01/2017 Cholesterol metabolism pcholmyr_hs 1-Myristoylglycerophosphocholine C22H47NO7P 0 C04230 53480465 VXUOFDJKYGDUJI-NRFANRHFSA-O HMDB0010385 03/01/2017 Cholesterol metabolism pcholn15_hs 1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0) C23H49NO7P 0 RJZVWDTYEWCUAR-QFIPXVFZSA-O 03/01/2017 Cholesterol metabolism pcholn183_hs 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15) C26H49NO7P 0 WKQNRCYKYCKESD-GRLZJIHZSA-O 03/01/2017 Cholesterol metabolism pcholn1836_hs 1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12) C26H49NO7P 0 MRTUWVDDQVMUCR-YTVFJXBYSA-O 03/01/2017 Cholesterol metabolism pcholn19_hs 1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0) C27H57NO7P 0 WYIMORDZGCUBAA-SANMLTNESA-O 03/01/2017 Cholesterol metabolism pcholn201_hs 1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1) C28H57NO7P 0 YYSFWGQAKJTHRE-QSRYBZNWSA-O 03/01/2017 Cholesterol metabolism pcholn203_hs 1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3 C28H53NO7P 0 BBNHCUBQEQJHIG-ARVQJMHYSA-O 03/01/2017 Cholesterol metabolism pcholn204_hs 1-Eicosatetraenoylglycerophosphocholine (Delta 8, 11, 14, 17), Sn1-Lpc (20:4) C28H51NO7P 0 C04230 53480469 GOMVPVRDBLLHQC-LRTGODIXSA-N HMDB0010396 03/01/2017 Cholesterol metabolism pcholn205_hs 1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5) C28H49NO7P 0 PDIGSOAOQOXRDU-TYHDVWHYSA-O 03/01/2017 Cholesterol metabolism pcholn224_hs 1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4) C30H55NO7P 0 ZOJBSSVHFSBHMP-ATKXNSTESA-O 03/01/2017 Cholesterol metabolism pcholn225_hs 1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3 C30H53NO7P 0 BIEOSECQPGGZMF-XIKXJVEWSA-O 03/01/2017 Cholesterol metabolism pcholn2254_hs 1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6 C30H53NO7P 0 YBUXFQUGNPBZPS-CQRKTUBGSA-O 03/01/2017 Cholesterol metabolism pcholn226_hs 1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6) C30H51NO7P 0 LSOWKZULVQWMLY-ZPXRMYCNSA-O 03/01/2017 Cholesterol metabolism pcholn24_hs 1-Lignocericylglycerophosphocholine (24:0), Lysopc A C24 C32H67NO7P 0 C04230 24779481 SKJMUADLQLZAGH-WJOKGBTCSA-N HMDB0010405 03/01/2017 Cholesterol metabolism pcholn261_hs Lysopc A C26:1 (Delta 5) C34H69NO7P 0 HHNUOPXCCKOIPL-OCOZRVBESA-O 03/01/2017 Cholesterol metabolism pcholn28_hs Lysopc A C28:0 C36H75NO7P 0 VPAMUPUPKCTFGJ-DHUJRADRSA-N 03/01/2017 Cholesterol metabolism pcholn281_hs Lysopc A C28:1 (Delta 5) C36H73NO7P 0 VCXKVGMRVJRCIV-CYYJNZCTSA-O 03/01/2017 Cholesterol metabolism pcholole_hs 1-Oleoylglycerophosphocholine (Delta 9) C26H53NO7P 0 C04230 16081932 YAMUFBLWGFFICM-AYZYJWAHSA-O HMDB02815 03/01/2017 Cholesterol metabolism pcholpalm_hs 1-Palmitoylglycerophosphocholine C24H51NO7P 0 ASWBNKHCZGQVJV-QHCPKHFHSA-O 03/01/2017 Cholesterol metabolism pcholpalme_hs 1-Palmitoleoylglycerophosphocholine (Delta 9) C24H49NO7P 0 LFUDDCMNKWEORN-JCKUYFFHSA-O 03/01/2017 Cholesterol metabolism pcholste_hs 1-Stearoylglycerophosphocholine C26H55NO7P 0 C04230 497299 IHNKQIMGVNPMTC-VWLOTQADSA-O HMDB0010384 03/01/2017 Cholesterol metabolism pclphe Parachlorophenol C6H5OCl 0 19/09/2018 Xenobiotics metabolism pcmnt Proclavaminate C8H14N2O4 0 19/09/2018 Clavulanic acid biosynthesis pcmt p-Cumate C10H11O2 -1 19/09/2018 Xenobiotics metabolism pcollg5hlys erythro-5-hydroxy-L-lysinium(1+) C6H14N2O3 0 C16741 3032849 18040 YSMODUONRAFBET-CRCLSJGQSA-N HMDB00450 02/07/2014 Lysine metabolism pcollglys Procollagen L-lysine C7H14N3O2R2 1 C16740 02/07/2014 Lysine metabolism pcreat Phosphocreatine C4H8N3O5P -2 C02305 587 17287 DRBBFCLWYRJSJZ-UHFFFAOYSA-M HMDB01511 02/07/2014 Urea cycle pcresol p-Cresol C7H8O C7H7O -1 C01468 2879 CHEBI:17847 IWDCLRJOBJJRNH-UHFFFAOYSA-M HMDB01858 12/01/2015 Miscellaneous pcrn propionyl-carnitine C10H19NO4 0 C03017 107738 28867 UFAHZIUFPNSHSL-UHFFFAOYSA-N HMDB00824 02/07/2014 Fatty acid oxidation pcs p-Cresol sulfate C7H8O4S C7H7O4S -1 4615423 WGNAKZGUSRVWRH-UHFFFAOYSA-M HMDB0011635 12/01/2015 Miscellaneous pd3 Previtamin D3 C27H44O 0 C07711 11199982 YUGCAAVRZWBXEQ-WHTXLNIXSA-N HMDB06500 02/07/2014 Vitamin D metabolism pdmeam Phosphodimethylethanolamine" C4H11NO4P -1 12/11/2020 pdpthmd Peptide diphthamide C14H23N6O3R2 1 19/09/2018 Diphthamide synthesis pdpthn Peptide diphthine C14H21N5O4R2 0 19/09/2018 Diphthamide synthesis pdser [Protein]-D-serine C4H6N2O3R2 0 19/09/2018 Histone phosphorylation pdx5p Pyridoxine 5-phosphate C8H10NO6P -2 C00627 1055 28803 WHOMFKWHIQZTHY-UHFFFAOYSA-L HMDB01319 02/07/2014 Selenoamino acid metabolism pe_cer Ceramide phosphoethanolamine C21H42N2O6PR 0 C06062 05/10/2018 Glycerophospholipid metabolism pe_cer1 Ceramide phosphoethanolamine C32H65N2O5P 0 25/09/2018 pe_cer1_bt Ceramide phosphoethanolamine (B. thetaiotaomicron specific) C37H77N2O6P 0 02/07/2014 pe_HP Phosphatidylethanolamine Hp specific C38H74NO8P 0 17/07/2015 pe_hs phosphatidylethanolamine C5H12NO4PFULLRCO2FULLR2CO2 0 16038 LVNGJLRDBYCPGB-KDXMTYKHSA-O 02/07/2014 Cholesterol metabolism pe12_hs 1-Didecanoylglycerophosphoethanolamine (C12:0 Pe) C17H36NO7P 0 IZDRGPDUDLWAGR-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism pe120 phosphatidylethanolamine (didodecanoyl, n-C12:0) C29H58N1O8P1 0 02/07/2014 Fatty acid oxidation pe13_hs 1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe) C18H38NO7P 0 IJTWJFQIBBDJJI-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism pe14_hs 1-Myristoylglycerophosphoethanolamine (C14:0 Pe) C19H40NO7P 0 RPXHXZNGZBHSMJ-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism pe140 phosphatidylethanolamine (ditetradecanoyl, n-C14:0) C33H66N1O8P1 0 02/07/2014 Fatty acid oxidation pe141 phosphatidylethanolamine (ditetradec-7-enoyl, n-C14:1) C33H62N1O8P1 0 02/07/2014 Fatty acid oxidation pe15_hs 1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe) C20H42NO7P 0 GIUNBNKDUHWVHI-IBGZPJMESA-N 03/01/2017 Cholesterol metabolism pe160 phosphatidylethanolamine (dihexadecanoyl, n-C16:0) C37H74N1O8P1 0 02/07/2014 Cell wall biosynthesis pe161 phosphatidylethanolamine (dihexadec-9enoyl, n-C16:1) C37H70N1O8P1 0 02/07/2014 Fatty acid oxidation pe161_hs 1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9) C21H42NO7P 0 DSOWUEHXZJUNID-BQYQJAHWSA-N 03/01/2017 Cholesterol metabolism pe17_hs 1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe) C22H46NO7P 0 RVNBVQKDPQVSOY-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism pe180 phosphatidylethanolamine (dioctadecanoyl, n-C18:0) C41H82N1O8P1 0 02/07/2014 Fatty acid oxidation pe181 phosphatidylethanolamine (dioctadec-11-enoyl, n-C18:1) C41H78N1O8P1 0 02/07/2014 Fatty acid oxidation pe2_ST Membrane phosphatidylethanolamine mixture X 0 02/07/2014 pe203_hs 1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3) C25H46NO7P 0 UEONHLLDVDPRRN-VKZRBKSOSA-N 03/01/2017 Cholesterol metabolism pe224_hs 1-Docosatetraenoyglycerophosphoethanolamine (22:4, Delta 7, 10, 13, 16) C27H48NO7P 0 NJHKGJJIKOCCMZ-OQYUTBBQSA-N 03/01/2017 Cholesterol metabolism pe226_hs 1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6) C27H46NO7P 0 03/01/2017 Cholesterol metabolism pe2linl_hs 2-Linoleoylglycerophosphoethanolamine C23H44NO7P 0 SVRBKLJIDJHADS-DRIBPHMRSA-N 03/01/2017 Cholesterol metabolism pea Phenylethyl_alcohol X 0 02/07/2014 peai15 Phosphatidylethanolamine (12-methyl-tetradecanoyl, anteiso-C15) C35H70NO8P 0 02/07/2014 Glycerophospholipid metabolism peai17 Phosphatidylethanolamine (14-methyl-hexadecanoyl, anteiso-C17) C39H78NO8P 0 02/07/2014 Glycerophospholipid metabolism peamn 2-phenylethanamine C8H12N 1 C05332 1001 18397 BHHGXPLMPWCGHP-UHFFFAOYSA-O HMDB0012275 02/07/2014 Phenylalanine metabolism pear_hs 1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine C25H44NO7P 0 ROPRRXYVXLDXQO-CDIMZWLNSA-N 03/01/2017 Cholesterol metabolism pecgon pseudoecgonine C9H14NO3 -1 C12449 443845 PHMBVCPLDPDESM-GHNGIAPOSA-M HMDB06348 02/07/2014 Alkaloid synthesis pecgoncoa Pseudoecgonyl-CoA C30H46N8O18P3S -3 C12450 443846 LWFFRRDSDGEAQK-ZSCOKQQMSA-K HMDB06403 02/07/2014 Alkaloid synthesis pect pectins C2535H3509O2535 -1 C08348 441476 AEMOLEFTQBMNLQ-DTEWXJGMSA-N HMDB03402 02/07/2014 Dietary fiber binding pecticgal Pectic galactan (potato), gal: arab-L: rmn: galur = 78: 9: 4: 9 (www.megazyme.com). Assumed to consist of 100 sugars per macromo... C597H971O503 -11 02/07/2014 Plant polysaccharide degradation pectin Pectin C6H7O6 -1 02/07/2014 Plant polysaccharide degradation pectindchac pectin-deoxycholic acid complex C2559H3549O2539 -1 02/07/2014 Dietary fiber binding pectingchol pectin-glycocholate complex C2561H3553NO2541 0 02/07/2014 Dietary fiber binding pectintchol pectin-taurocholic acid complex C2561H3555NO2542S 0 02/07/2014 Dietary fiber binding pedh203_hs 1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14) C25H46NO7P 0 RNWSKZCVPICGIX-NPLRDPCCSA-N 03/01/2017 Cholesterol metabolism pedrn (+)-Pseudoephedrine C10H16NO 1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pei14 Phosphatidylethanolamine (12-methyl-tridecanoyl, iso-C14) C33H66NO8P 0 02/07/2014 Glycerophospholipid metabolism pei15 Phosphatidylethanolamine (13-methyl-tetradecanoyl, iso-C15) C35H70NO8P 0 02/07/2014 Glycerophospholipid metabolism pei16 Phosphatidylethanolamine (14-methyl-pentadecanoyl, iso-C16) C37H74NO8P 0 02/07/2014 Glycerophospholipid metabolism pei17 Phosphatidylethanolamine (15-methyl-hexadecanoyl, iso-C17) C39H78NO8P 0 02/07/2014 Glycerophospholipid metabolism pelinl_hs 1-Linoleoylglycerophosphoethanolamine (Delta 9,12) C23H44NO7P 0 DBHKHNGBVGWQJE-AVQMFFATSA-N 03/01/2017 Cholesterol metabolism pendecaeth Pentadecanoyl Thanolamide (C15:0) C17H35NO2 0 UHPXXKLAACDXGS-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism pendp all-trans-Pentaprenyl diphosphate C25H41O7P2 -3 02/07/2014 Terpenoid backbone biosynthesis peng Penicillin G C16H17N2O4S -1 C05551 01/10/2018 Xenobiotics metabolism penn Penicillin N C14H20N3O6S -1 19/09/2018 Xenobiotics metabolism pentam Pentanamide C5H11NO C5H11NO 0 C01842 10/06/2018 Xenobiotics metabolism pentcoa pentanoylcoa C26H40N7O17P3S -4 C00888 439337 15536 RXUATCUKICAIOA-ZMHDXICWSA-J HMDB13037 02/07/2014 Fatty acid oxidation peole_hs 1-Oleoylglycerophosphoethanolamine (Delta 9) C23H46NO7P 0 PYVRVRFVLRNJLY-MDZDMXLPSA-N 03/01/2017 Cholesterol metabolism pep Phosphoenolpyruvate C3H2O6P -3 C00074 1005 44897 DTBNBXWJWCWCIK-UHFFFAOYSA-K HMDB00263 02/07/2014 Aminosugar metabolism pepalm_hs 1-Palmitoylglycerophosphoethanolamine C21H44NO7P 0 YVYMBNSKXOXSKW-UHFFFAOYSA-N 03/01/2017 Cholesterol metabolism peplys Peptidyl-L-lysine XH 0 C02188 02/07/2014 Lysine metabolism pepslys peptide sans lysine X 0 02/07/2014 Lysine metabolism peptido_BT Peptidoglycan polymer Btheta (n-1 subunits) C40H62N8O21 -2 02/07/2014 peptido_EC Peptidoglycan subunit of Escherichia coli C40H62N8O21 -2 02/07/2014 peptido_ST Membrane murein mixture X 0 02/07/2014 peptmet_L Peptide-L-methionine X XC3H7S 0 30/09/2014 Others peptmetox_L Peptide-L-methionine (R)-S-oxide X XC3H7OS 0 30/09/2014 Others peracd Perillic acid C10H13O2 -1 C11924 1256 36999 CDSMSBUVCWHORP-UHFFFAOYSA-M HMDB04586 02/07/2014 Limonene and pinene degradation perillyl perillyl alcohol C10H16O 0 C02452 10819 15420 NDTYTMIUWGWIMO-UHFFFAOYSA-N HMDB03634 02/07/2014 Limonene and pinene degradation perrcoa Perillyl-CoA C31H48N7O17P3S C31H44N7O17P3S -4 C11929 01/07/2019 Limonene and pinene degradation peste_hs 1-Stearoylglycerophosphoethanolamine C23H48NO7P 0 BBYWOYAFBUOUFP-QFIPXVFZSA-N 03/01/2017 Cholesterol metabolism pftln p-Formyltoluene C8H8O 0 19/09/2018 Xenobiotics metabolism PG peptidoglycan C39H64N8O19 0 02/07/2014 pg_HP Phosphatidylglycerol Hp specific C39H74O10P -1 17/07/2015 pg_LLA Phospatidylglycerol__Lactis_specific_ C4020H7598O1000P100 0 02/07/2014 pg_LPL Phospatidylglycerol__LPL_specific_ X 0 02/07/2014 pg120 Phosphatidylglycerol (didodecanoyl, n-C12:0) C30H58O10P1 -1 02/07/2014 Fatty acid oxidation pg140 Phosphatidylglycerol (ditetradecanoyl, n-C14:0) C34H66O10P1 -1 02/07/2014 Fatty acid oxidation pg141 Phosphatidylglycerol (ditetradec-7-enoyl, n-C14:1) C34H62O10P1 -1 02/07/2014 Fatty acid oxidation pg160 Phosphatidylglycerol (dihexadecanoyl, n-C16:0) C38H74O10P1 -1 02/07/2014 Cell wall biosynthesis pg161 Phosphatidylglycerol (dihexadec-9-enoyl, n-C16:1) C38H70O10P1 -1 02/07/2014 Fatty acid oxidation pg180 Phosphatidylglycerol (dioctadecanoyl, n-C18:0) C42H82O10P1 -1 02/07/2014 Fatty acid oxidation pg181 Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1) C42H78O10P1 -1 02/07/2014 Fatty acid oxidation pg2_ST Membrane phosphatidylglycerol mixture X 0 02/07/2014 pgai15 Phosphatidylglycerol (12-methyl-tetradecanoyl, anteiso-C15) C36H70O10P -1 02/07/2014 Glycerophospholipid metabolism pgai17 Phosphatidylglycerol (14-methyl-hexadecanoyl, anteiso-C17) C40H78O10P -1 02/07/2014 Glycerophospholipid metabolism pgdn3gcg Pelargonidin 3-glucoside 5-caffeoylglucoside C36H35O18 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pgdnbdg Pelargonidin 3,5-di-beta-D-glucoside C27H29O15 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pgi14 Phosphatidylglycerol (12-methyltridecanoyl, iso-C14) C34H66O10P -1 02/07/2014 Glycerophospholipid metabolism pgi15 Phosphatidylglycerol (13-methyltetradecanoyl, iso-C15) C36H70O10P -1 02/07/2014 Glycerophospholipid metabolism pgi16 Phosphatidylglycerol (14-methylpentadecanoyl, iso-C16) C38H74O10P -1 02/07/2014 Glycerophospholipid metabolism pgi17 Phosphatidylglycerol (15-methyl-hexadecanoyl, iso-C17) C40H78O10P -1 02/07/2014 Glycerophospholipid metabolism PGlac2 peptidoglycan_with_D_lac_as_C_terminal_residue_to_form_pentadepsipeptide X 0 02/07/2014 pglu Protein glutamate C5H6NO3 -1 19/09/2018 Others pglyc_hs Phosphatidylglycerol C6H12O6PFULLRCO2FULLR2CO2 0 60523 02/07/2014 Glycerophospholipid metabolism PGP Peptidoglycan polymer (n subunits) X C39H64N8O19X 0 01/10/2014 Cell wall biosynthesis pgp_HP Phosphatidylglycerol phosphate Hp specific C39H73O13P2 -3 17/07/2015 pgp_hs Phosphatidyl Glycerol Phosphate C6H11O9P2FULLRCO2FULLR2CO2 0 02/07/2014 Glycerophospholipid metabolism pgp_LLA Phosphatidylglycerophosphate__lactis_specific_ C4020H7498O1300P200 0 02/07/2014 pgp_LPL Phosphatidylglycerophosphate__LPL_specific_ X 0 02/07/2014 pgp120 Phosphatidylglycerophosphate (didodecanoyl, n-C12:0) C30H57O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp140 Phosphatidylglycerophosphate (ditetradecanoyl, n-C14:0) C34H65O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp141 Phosphatidylglycerophosphate (ditetradec-7-enoyl, n-C14:1) C34H61O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp160 Phosphatidylglycerophosphate (dihexadecanoyl, n-C16:0) C38H73O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp161 Phosphatidylglycerophosphate (dihexadec-9-enoyl, n-C16:1) C38H69O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp180 Phosphatidylglycerophosphate (dioctadecanoyl, n-C18:0) C42H81O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgp181 Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1) C42H77O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpai15 Phosphatidylglycerophosphate (12-methyl-tetradecanoyl, anteiso-C15) C36H69O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpai17 Phosphatidylglycerophosphate (14-methyl-hexadecanoyl, anteiso-C17) C40H77O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpi14 Phosphatidylglycerophosphate (12-methyltridecanoyl, iso-C14) C34H65O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpi15 Phosphatidylglycerophosphate (13-methyltetradecanoyl, iso-C15) C36H69O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpi16 Phosphatidylglycerophosphate (14-methylpentadecanoyl, iso-C16) C38H73O13P2 -3 02/07/2014 Glycerophospholipid metabolism pgpi17 Phosphatidylglycerophosphate (15-methyl-hexadecanoyl, iso-C17) C40H77O13P2 -3 02/07/2014 Glycerophospholipid metabolism PGPm1 Peptidoglycan polymer (n-1 subunits) X X 0 01/10/2014 Cell wall biosynthesis ph2s Polysulfide H2S2 0 27/11/2014 Respiration phaccoa phenylacetyl-CoA(4-) C29H38N7O17P3S -4 C00582 165620 15537 ZIGIFDRJFZYEEQ-CECATXLMSA-J HMDB06503 02/07/2014 Phenylalanine metabolism phacgly Phenylacetylglycine C10H10NO3 -1 UTYVDVLMYQPLQB-UHFFFAOYSA-M 03/01/2017 Valine, leucine, and isoleucine metabolism phacp Phehylacetyl phosphate C8H9O5P C8H7O5P -2 20/12/2017 Phenylalanine metabolism phc4og 2,3,4,4,6-Peptahydroxychalcone 4-O-glucoside C21H22O11 0 19/09/2018 Xenobiotics metabolism phcrm_hs Phytoceramide C18H38NO3FULLRCO 0 03/01/2017 Sphingolipid metabolism phdca phenol palmitic acid (iMEO21) C23H37O3 -1 08/03/2016 phdcaACP phenol palmitic acid ACP (iMEO21) C34H57N2O9PRS -1 08/03/2016 Cell wall biosynthesis phdcacoa phenol palmitic coenzyme A (iMEO21) C44H69N7O18P3S -3 08/03/2016 Fatty acid synthesis phe_D D-Phenylalanine C9H11NO2 0 19/09/2018 Phenylalanine metabolism phe_L L-phenylalanine C9H11NO2 0 C00079 6140 17295 COLNVLDHVKWLRT-QMMMGPOBSA-N HMDB00159 02/07/2014 Miscellaneous pheacgln (2S)-4-carbamoyl-2-(2-phenylacetamido)butanoate C13H16N2O4 0 C04148 92258 17884 JFLIEFSWGNOPJJ-JTQLQIEISA-N HMDB06344 02/07/2014 Phenylalanine metabolism pheacgly Phenylacetylglycine C10H11NO3 C10H10NO3 -1 C05598 CHEBI:27480 UTYVDVLMYQPLQB-UHFFFAOYSA-M HMDB00821 12/01/2015 Phenylalanine metabolism phearg L-phenylalanyl-L-arginine C15H24N5O3 1 02/07/2014 pheasnmet Phenylalanyl-Asparaginyl-Methionine C18H26N4O5S 0 LNIIRLODKOWQIY-MELADBBJSA-N 03/01/2017 Peptide metabolism pheasp Phenylalanyl-Aspartate C13H15N2O5 -1 HWMGTNOVUDIKRE-VHSXEESVSA-M 03/01/2017 Peptide metabolism phebnzn Phenylbenzene C12H10 0 19/09/2018 Dioxin degradation pheglnphe Phenylalanyl-Glutaminyl-Phenylalanine C23H28N4O5 0 GDBOREPXIRKSEQ-OTWHNJEPSA-N 03/01/2017 Peptide metabolism pheleu Phenylalanyl-Leucine C15H22N2O3 0 RFCVXVPWSPOMFJ-QWHCGFSZSA-N 03/01/2017 Peptide metabolism pheleuasp Phenylalanyl-Leucyl-Aspartate C19H26N3O6 -1 YKUGPVXSDOOANW-ZNMIVQPWSA-M 03/01/2017 Peptide metabolism pheleuhis Phenylalanyl-Leucyl-Histidine C21H29N5O4 0 METZZBCMDXHFMK-BZSNNMDCSA-N 03/01/2017 Peptide metabolism phelysala Phenylalanyl-Lysyl-Alanine C18H29N4O4 1 DNAXXTQSTKOHFO-AEGPPILISA-O 03/01/2017 Peptide metabolism phelyspro Phenylalanyl-Lysyl-Proline C20H31N4O4 1 BNRFQGLWLQESBG-GVDBMIGSSA-O 03/01/2017 Peptide metabolism pheme Protoheme C34H30FeN4O4 -2 C00032 17627 KABFMIBPWCXCRK-RGGAHWMASA-J HMDB03178 02/07/2014 Heme degradation phenol Phenol C6H6O 0 HMDB00228 02/07/2014 Aminobenzoate degradation phep Phenylphosphate C6H6O4P -1 19/09/2018 Phenylalanine metabolism phephe Phenylalanyl-Phenylalanine C18H20N2O3 0 GKZIWHRNKRBEOH-JKSUJKDBSA-N 03/01/2017 Peptide metabolism phepheasn Phenylalanyl-Phenylalaninyl-Asparagine C22H26N4O5 0 OWSLLRKCHLTUND-KSZLIROESA-N 03/01/2017 Peptide metabolism phephethr Phenylalanyl-Phenylalaninyl-Threonine C22H27N3O5 0 MGLBSROLWAWCKN-FZDIXFNVSA-N 03/01/2017 Peptide metabolism pheproarg Phenylalanyl-Prolyl-Arginine C20H31N6O4 1 NTUPOKHATNSWCY-JYJNAYRXSA-O 03/01/2017 Peptide metabolism phesertrp Phenylalanyl-Seryl-Tryptophan C23H26N4O5 0 MRWOVVNKSXXLRP-YSIASYRMSA-N 03/01/2017 Peptide metabolism phesft phenyl sulfate C6H5O4S C6H5O4S -1 19/09/2018 Phenylalanine metabolism phetha Phenylethyl alcohol C8H10O 0 19/09/2018 Xenobiotics metabolism phethrlys Phenylalanyl-Threonyl-Lysine C19H31N4O5 1 PTDAGKJHZBGDKD-QCEMKRCNSA-O 03/01/2017 Peptide metabolism phetrna L-Phenylalanyl-tRNA(Phe) C9H10NOR 1 02/07/2014 tRNA Charging phetrpleu Phenylalanyl-Tryptophanyl-Leucine C26H32N4O4 0 AOKZOUGUMLBPSS-WWNPGLIZSA-N 03/01/2017 Peptide metabolism phetyr Phenylalanyl-Tyrosine C18H20N2O4 0 FSXRLASFHBWESK-JKSUJKDBSA-N 03/01/2017 Peptide metabolism phetyrgln Phenylalanyl-Tyrosinyl-Glutamine C23H28N4O6 0 QUUCAHIYARMNBL-GBESFXJTSA-N 03/01/2017 Peptide metabolism phetyrlys Phenylalanyl-Tyrosinyl-Lysine C24H33N4O5 1 DBNGDEAQXGFGRA-PCCBWWKXSA-O 03/01/2017 Peptide metabolism phhlipa phospho-heptosyl-heptosyl-kdo2-lipidA C124H219N2O54P3 -8 02/07/2014 Lipopolysaccharide biosynthesis phis Protein histidine C7H8N4O2R2 0 19/09/2018 Histone phosphorylation phitcoa E-Phenylitaconyl-CoA C32H39N7O19P3S -5 C09818 01/07/2019 Toluene degradation phlac Phenyllactate C9H9O3 -1 VOXXWSYKYCBWHO-UHFFFAOYSA-M 02/07/2014 Phenylalanine metabolism phlmfa Phospholipid methylene fatty acid C15H23O8PR3 -1 19/09/2018 Isoquinoline alkaloid biosynthesis phlofa Phospholipid olefinic fatty acid C14H21O8PR3 -1 19/09/2018 Isoquinoline alkaloid biosynthesis phmmthn Pentahomomethionine C10H21NO2S 0 19/09/2018 Glucosinolate biosynthesis phnala Phosphonoalanine C3H6NO5P -2 19/09/2018 Glutamate metabolism phom O-phosphonato-L-homoserine(2-) C4H8NO6P -2 C01102 151187 15961 FXDNYOANAXWZHG-VKHMYHEASA-L HMDB03484 02/07/2014 Glycine, serine, alanine, and threonine metabolism phphhlipa phospho-heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA C131H230N2O63P4 -10 02/07/2014 Lipopolysaccharide biosynthesis phppa p-hydroxyphenylpropionic acid C9H10O3 C9H9O3 -1 C01744 10394 NMHMNPHRMNGLLB-UHFFFAOYSA-N HMDB02199 26/03/2015 Drug metabolism phppa_glc 3-(3-Hydroxyphenyl)Propionate Glucuronide C15H18O9 C15H16O9 -2 01/03/2019 Drug metabolism phpyr keto-phenylpyruvate C9H7O3 -1 C00166 997 30851 BTNMPGBKDVTSJY-UHFFFAOYSA-M HMDB00205 02/07/2014 Phenylalanine metabolism phsdln Phaseollidin C20H20O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism phsdlnh Phaseollidin hydrate C20H22O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism phsph1p Phytosphingosine-1-Phosphate C18H39NO6P -1 AYGOSKULTISFCW-KSZLIROESA-M 03/01/2017 Sphingolipid metabolism phsphings Phytosphingosine C18H40NO3 1 AERBNCYCJBRYDG-ABHNRTSZSA-O 03/01/2017 Sphingolipid metabolism phthr O-Phospho-4-hydroxy-L-threonine C4H8NO7P -2 HMDB06802 02/07/2014 Vitamin B6 metabolism phtlt Phthalate C8H4O4 C8H4O4 -2 19/09/2018 Xenobiotics metabolism phtn_glc Phenacetin Glucuronide C16H21NO9 C16H20NO9 -1 01/03/2019 Drug metabolism phyldpp Phytyl diphosphate C20H42O7P2 C20H39O7P2 -3 HMDB0011116 02/07/2014 Porphyrin and chlorophyll metabolism phyQ phylloquinone C31H46O2 0 C02059 5280483 18067 MBWXNTAXLNYFJB-NKFFZRIASA-N HMDB03555 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis phyt phytanate C20H39O2 -1 C01607 26840 16285 RLCKHJSFHOZMDR-UHFFFAOYSA-M HMDB00801 02/07/2014 Fatty acid oxidation phyt2ohcoa 2-hydroxyphytanoyl-CoA(4-) C41H70N7O18P3S -4 C07343 11966142 15475 WNVFJMYPVBOLKV-YLNUKALLSA-J HMDB01295 02/07/2014 Fatty acid oxidation phytcoa phytanoyl-CoA(4-) C41H70N7O17P3S -4 C02060 439640 15538 NRJQGHHZMSOUEN-ZJGVPSKGSA-J HMDB01359 02/07/2014 Fatty acid oxidation phytn Phytoene C40H64 C40H64 0 HMDB02181 02/07/2014 Terpenoid backbone biosynthesis pi hydrogenphosphate HO4P -2 C00009 1061 43474 NBIIXXVUZAFLBC-UHFFFAOYSA-L HMDB01429 02/07/2014 Alanine and aspartate metabolism pime Pimelate C7H10O4 -2 C02656 385 WLJVNTCWHIRURA-UHFFFAOYSA-N HMDB00857 02/07/2014 Glycerophospholipid metabolism pkrmcn Pikromycin C28H48NO8 1 19/09/2018 Xenobiotics metabolism plac Phenyllactate C9H9O3 -1 C05607 VOXXWSYKYCBWHO-QMMMGPOBSA-N HMDB00563 02/07/2014 Phenylalanine metabolism placcoa Phenyllactyl-CoA C30H44N7O18P3S C30H40N7O18P3S -4 20/12/2017 Phenylalanine metabolism plasmetha Plasmenylethanolamine C8H13NO7PR2 C8H13NO7PR2 -1 C04756 22/04/2016 Cell wall biosynthesis plcitr Protein L-citrulline C8H15N4O4R(C2H2NOR)n 0 19/09/2018 Others plcys Prenyl-L-cysteine C8H15NO2S 0 19/09/2018 Terpenoid backbone biosynthesis plr3r Pelargonidin 3-O-rutinoside C27H29O14 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism plr3r5gpsd Pelargonidin 3-rutinoside-5-glucopyranoside C33H39O19 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pmACP Pimeloyl-ACP C18H30N2O10PRS -2 02/07/2014 Biotin metabolism pmACPm Pimeloyl-ACP methyl ester C19H33N2O10PRS -1 02/07/2014 Biotin metabolism pmcn Premithramycinone C21H17O9 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pmcoa Pimeloyl-CoA C28H41N7O19P3S -5 02/07/2014 Biotin metabolism pmeth Palmitoylethanolamide C18H37NO2 0 C16512 4671 HXYVTAGFYLMHSO-UHFFFAOYSA-N HMDB02100 03/01/2017 Glycerophospholipid metabolism pmonoe Phosphate monoester HO4PR -1 03/01/2017 Miscellaneous pmtcoa Palmitoyl-CoA (n-C16:0CoA) C37H62N7O17P3S -4 C00154 15667 15525 MNBKLUUYKPBKDU-BBECNAHFSA-J HMDB01338 02/07/2014 Fatty acid oxidation pmtcrn L-palmitoylcarnitine C23H45NO4 0 C02990 11953816 17490 XOMRRQXKHMYMOC-OAQYLSRUSA-N HMDB00222 02/07/2014 Fatty acid oxidation pmth3one p-Menthan-3-one C10H18O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pmtn Palmatine C21H22NO4 1 19/09/2018 Isoquinoline alkaloid biosynthesis pnadprda Peptide N-(ADP-D-ribosyl)diphthamide C29H42N11O16P2R2 -1 19/09/2018 Miscellaneous pncln Penicillin C9H10N2O4RS -1 19/09/2018 Xenobiotics metabolism pnclt Penicilloic acid C9H11N2O5RS -2 19/09/2018 Xenobiotics metabolism pnp 4-Hydroxynitrobenzene, p-Nitrophenol C6H5NO3 C6H4NO3 -1 02/07/2014 Aminobenzoate degradation pnslvn Pinosylvin C14H12O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism pnto_R (R)-Pantothenate C9H16NO5 -1 C00864 988 7916 GHOKWGTUZJEAQD-UHFFFAOYSA-M HMDB00210 02/07/2014 CoA catabolism polypi Polyphosphate X 0 02/07/2014 ppa Propionate C3H5O2 -1 C00163 1032 30768 XBDQKXXYIPTUBI-UHFFFAOYSA-M HMDB00237 02/07/2014 Bile acid synthesis ppaca Phosphonoacetaldehyde C2H5O4P C2H3O4P -2 C03167 6050 18124 [H]C(=O)CP(O)(O)=O 02/07/2014 Aminophosphonate metabolism ppact Phosphonoacetate C2H5O5P C2H2O5P -3 19/09/2018 Phosphonate and phosphinate metabolism ppal Propanal C3H6O 0 HMDB03366 02/07/2014 Glycolysis/gluconeogenesis ppap Propanoyl phosphate C3H5O5P -2 02/07/2014 Propanoate metabolism ppbng Porphobilinogen C10H13N2O4 -1 C00931 1021 17381 QSHWIQZFGQKFMA-UHFFFAOYSA-M HMDB00245 02/07/2014 Heme synthesis ppcoa Propanoyl-CoA C24H36N7O17P3S -4 C00100 439164 57392 QAQREVBBADEHPA-SSERFMASSA-J HMDB01275 02/07/2014 Bile acid synthesis ppdima Phenol phthiocerol dimycocerosate (Mtb) C99H188O6 0 17/02/2020 Cell wall biosynthesis ppgpp Guanosine 3,5-bis(diphosphate) C10H11N5O17P4 -6 02/07/2014 Nucleotide interconversion pphbda Pheophorbide a C35H36N4O5 0 19/09/2018 Porphyrin and chlorophyll metabolism pphn Prephenate C10H8O6 -2 HMDB0012283 02/07/2014 Phenylalanine metabolism pphtd Prephytoene diphosphate C40H68O7P2 C40H65O7P2 -3 HMDB03023 02/07/2014 Terpenoid backbone biosynthesis pphthdl phenolic phthiodiolone C34H60O4 0 12/11/2020 Cell wall biosynthesis pphthiocerol phenolphtiocerol C35H64O4 0 12/11/2020 Cell wall biosynthesis ppi Diphosphate HO7P2 -3 C00013 644102 29888 XPPKVPWEQAFLFU-UHFFFAOYSA-K HMDB00250 02/07/2014 Alanine and aspartate metabolism ppiogly Propionyl-Glycine C5H8NO3 -1 WOMAZEJKVZLLFE-UHFFFAOYSA-M 03/01/2017 Glycine, serine, alanine, and threonine metabolism ppmi12346p 5-Diphosphoinositol pentakisphosphate C6H6O27P7 -13 C11526 30164 UPHPWXPNZIOZJL-KXXVROSKSA-A HMDB06229 02/07/2014 Inositol phosphate metabolism ppmi1346p Diphosphoinositol tetrakisphosphate C6H7O24P6 -11 C18058 890 17401 IMQLKJBTEOYOSI-GPIVLXJGSA-C HMDB03502 02/07/2014 Inositol phosphate metabolism ppn Phosphonate H2O3P -1 C01271 12/11/2020 ppoh 1-Propanol C3H8O1 0 02/07/2014 Glycolysis/gluconeogenesis ppp9 Protoporphyrin C34H32N4O4 -2 C02191 4971 15430 KSFOVUSSGSKXFI-UJJXFSCMSA-L HMDB00241 02/07/2014 Heme synthesis pppg9 Protoporphyrinogen IX C34H38N4O4 -2 C01079 121893 15435 UHSGPDMIQQYNAX-UHFFFAOYSA-L HMDB01097 02/07/2014 Heme synthesis ppphbda Pyropheophorbide a C33H34N4O3 0 19/09/2018 Porphyrin and chlorophyll metabolism pppi triphosphate(5-) HO10P3 -4 C00536 3440921 18036 UNXRWKVEANCORM-UHFFFAOYSA-J HMDB03379 02/07/2014 Glycolysis/gluconeogenesis pppn Phenylpropanoate C9H9O2 -1 12497 HMDB00764 02/07/2014 Phenylalanine metabolism pppncoa Phenylpropanoyl-CoA C30H44N7O17P3S C30H40N7O17P3S -4 20/12/2017 Phenylalanine metabolism pprdn Piperideine C5H9N C5H9N 0 C06181 8432 47858 C1CCN=CC1 02/07/2014 Lysine metabolism ppt Phosphonate HO3P -2 02/07/2014 ppyr Parapyruvate C6H6O6 -2 19/09/2018 Benzoate degradation pqq Pyrroloquinoline-quinone C14H6N2O8 C14H3N2O8 -3 HMDB0013636 02/07/2014 Phenylalanine metabolism pqqh2 Reduced pyrroloquinoline-quinone C14H8N2O8 C14H5N2O8 -3 02/07/2014 Phenylalanine metabolism pram 5-Phospho-beta-D-ribosylamine C5H11NO7P -1 C03090 439905 37737 SKCBPEVYGOQGJN-FCAWWPLPSA-M HMDB01128 02/07/2014 Purine synthesis pran N-(5-Phospho-D-ribosyl)anthranilate C12H13NO9P -3 02/07/2014 Tryptophan metabolism prbamp 1-(5-Phosphoribosyl)-AMP C15H19N5O14P2 -4 HMDB0012276 02/07/2014 Histidine metabolism prbatp 1-(5-Phosphoribosyl)-ATP C15H19N5O20P4 -6 HMDB03665 02/07/2014 Histidine metabolism pre_prot glycophosphatidylinositol (GPI)-anchored protein precursor XY 0 02/07/2014 Phosphatidylinositol phosphate metabolism pre1 Precorrin 1 C41H38N4O16 C41H38N4O16 -8 C15527 22/04/2016 Vitamin B12 metabolism pre2 Precorrin 2 C42H40N4O16 -8 C02463 02/07/2014 Vitamin B12 metabolism pre3a Precorrin 3 A C43H43N4O16 -7 C05772 02/07/2014 Heme synthesis pre3b Precorrin 3B C43H44N4O17 -6 C06406 02/07/2014 Heme synthesis pre4 Precorrin 4 C44H44N4O17 -8 C06407 02/07/2014 Vitamin B12 metabolism pre5 Precorrin 5 C45H46N4O17 -8 C06416 02/07/2014 Vitamin B12 metabolism pre6a Precorrin 6A C44H47N4O16 -7 C06320 02/07/2014 Vitamin B12 metabolism pre6b Precorrin 6B C44H49N4O16 -7 C06319 02/07/2014 Vitamin B12 metabolism pre8 Precorrin 8 C45H53N4O14 -7 C06408 02/07/2014 Vitamin B12 metabolism prepphth phenolic phthiocerol precursor C35H59O6 -1 12/11/2020 Cell wall biosynthesis prepphthACP phenolic phthiocerol precursor bound ACP C46H79N2O12PRS -1 12/11/2020 Cell wall biosynthesis PreZ Precursor_Z_in_molybdenum_cofactor_biosynthesis C10H11N5O7P 0 02/07/2014 prfp 1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide C15H21N5O15P2 -4 02/07/2014 Histidine metabolism prgnlone pregnenolone C21H32O2 0 C01953 53477678 16581 ORNBQBCIOKFOEO-QGVNFLHTSA-N HMDB00253 02/07/2014 Steroid metabolism prgnlones pregnenolone sulfate C21H31O5S -1 C18044 20845972 35420 DIJBBUIOWGGQOP-QGVNFLHTSA-M HMDB00774 02/07/2014 Steroid metabolism prgstrn progesterone C21H30O2 0 C00410 5994 17026 RJKFOVLPORLFTN-LEKSSAKUSA-N HMDB01830 02/07/2014 Steroid metabolism prist pristanic acid C19H37O2 -1 123929 51340 PAHGJZDQXIOYTH-UHFFFAOYSA-M HMDB00795 02/07/2014 Fatty acid oxidation pristanal pristanal C19H38O 0 14671060 49189 IZJRIIWUSIGEAJ-UHFFFAOYSA-N HMDB01958 02/07/2014 Fatty acid oxidation pristcoa pristanoyl coa C40H68N7O17P3S -4 25137904 51341 XYJPSQPVCBNZHT-TUKYSRJDSA-J 02/07/2014 Fatty acid oxidation prl45tca Prenol-45n teichoic acid X C206H386N2O242P47 -47 30/09/2014 Cell wall biosynthesis prl45tcaala Prenol-45n teichoic acid-alanine substituted X C341H566N47O242P47 -2 30/09/2014 Cell wall biosynthesis prl45tcaglc Prenol-45n teichoic acid-glucose substituted X C476H836N2O467P47 -47 30/09/2014 Cell wall biosynthesis prldn 2,5-Pyrroledione C4H3NO2 0 19/09/2018 Xenobiotics metabolism prlp 5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide C15H21N5O15P2 -4 02/07/2014 Histidine metabolism prnl Prenal C5H8O 0 19/09/2018 Terpenoid backbone biosynthesis pro_D D-proline C5H9NO2 0 C00763 8988 16313 ONIBWKKTOPOVIA-SCSAIBSYSA-N HMDB03411 02/07/2014 Arginine and proline metabolism pro_L L-proline C5H9NO2 0 C00148 145742 17203 ONIBWKKTOPOVIA-BYPYZUCNSA-N HMDB00162 02/07/2014 Arginine and proline metabolism proargasp Prolyl-Arginyl-Aspartate C15H26N6O6 0 SSSFPISOZOLQNP-CBMCFHRWSA-N 03/01/2017 Peptide metabolism proargcys Prolyl-Arginyl-Cysteine C14H27N6O4S 1 OLHDPZMYUSBGDE-CBMCFHRWSA-O 03/01/2017 Peptide metabolism proasncys Prolyl-Asparaginyl-Cysteine C12H20N4O5S 0 WECYCNFPGZLOOU-ZHFSPANRSA-N 03/01/2017 Peptide metabolism prob Probenecid C13H19NO4S C13H18NO4S -1 C07372 4911 01/03/2019 Drug metabolism prob_glc Probenecid Acyl Beta-D-Glucuronide C19H27NO10S C19H26NO10S -1 01/03/2019 Drug metabolism procys Prolyl-Cysteine C8H14N2O3S 0 HXNYBZQLBWIADP-GDVGLLTNSA-N 03/01/2017 Peptide metabolism prodslfd Protein disulfide X XS2 0 30/09/2014 Others prodthl Protein dithiol X XS2H2 0 30/09/2014 Others profvs des-isoproylpropionic-acid-fluvastatin C18H16FNNaO2 C18H16FNNaO2 0 02/07/2014 Drug metabolism profvscoa des-isoproylpropionic-acid-fluvastatin-CoA C37H46FN8NaO17P3S C37H42FN8NaO17P3S -4 02/07/2014 Drug metabolism proglnpro Prolyl-Glutaminyl-Proline C15H24N4O5 0 SKICPQLTOXGWGO-DVRYWGNFSA-N 03/01/2017 Peptide metabolism proglulys Prolyl-Glutamatsyl-Lysine C16H28N4O6 0 VOZIBWWZSBIXQN-GLXQMMQGSA-N 03/01/2017 Peptide metabolism progly L-Prolinylglycine C7H12N2O3 0 6426709 61695 RNKSNIBMTUYWSH-YFKPBYRVSA-N HMDB11178 02/07/2014 Peptide metabolism prohis Prolyl-Histidine C11H16N4O3 0 BEPSGCXDIVACBU-GKAPJAKFSA-N 03/01/2017 Peptide metabolism prohistyr Prolyl-Histidyl-Tyrosine C20H26N5O5 0 XFFIGWGYMUFCCQ-ULQDDVLXSA-N 03/01/2017 Peptide metabolism prolb proline_betaine C7H13NO2 0 02/07/2014 proleuarg Prolyl-Leucyl-Arginine C17H33N6O4 1 YXHYJEPDKSYPSQ-LWNNLKQOSA-O 03/01/2017 Peptide metabolism prolpp Braun prolipoprotein C350H601N112O120S3 0 02/07/2014 prolyspro Prolyl-Lysyl-Proline C16H29N4O4 1 ULWBBFKQBDNGOY-SPOOISQMSA-O 03/01/2017 Peptide metabolism pront Prontosil C12H13N5O2S C12H13N5O2S 0 C07573 66895 01/03/2019 Drug metabolism pront_glc Prontosil Glucuronide C18H21N5O8S C18H20N5O8S -1 01/03/2019 Drug metabolism prophe Prolyl-Phenylalanine C14H18N2O3 1 IWIANZLCJVYEFX-RYUDHWBXSA-N 03/01/2017 Peptide metabolism propl Propranolol C16H21NO2 C16H22NO2 1 C07407 4946 01/03/2019 Drug metabolism propl_glc Propranolol Glucuronide C22H29NO8 C22H29NO8 0 119515 01/03/2019 Drug metabolism proproarg Prolyl-Prolyl-Arginine C16H29N6O4 1 JLMZKEQFMVORMA-RAMGSTBQSA-O 03/01/2017 Peptide metabolism propropro Prolyl-Prolyl-Proline C15H23N3O4 0 SBVPYBFMIGDIDX-GLXQMMQGSA-N 03/01/2017 Peptide metabolism prostg1 15-dehydro-prostaglandin E1(1-) C20H31O5 -1 C04654 5280710 15548 VXPBDCBTMSKCKZ-XQHNHVHJSA-M HMDB01320 02/07/2014 Eicosanoid metabolism prostgd2 prostaglandin D2(1-) C20H31O5 -1 C00696 448457 15555 BHMBVRSPMRCCGG-OUTUXVNYSA-M HMDB01403 02/07/2014 Eicosanoid metabolism prostge1 prostaglandin E1(1-) C20H33O5 -1 C04741 5280723 15544 GMVPRGQOIOIIMI-DWKJAMRDSA-M HMDB01442 02/07/2014 Eicosanoid metabolism prostge2 prostaglandin E2(1-) C20H31O5 -1 C00584 5280360 15551 XEYBRNLFEZDVAW-ARSRFYASSA-M HMDB01220 02/07/2014 Eicosanoid metabolism prostgf2 prostaglandin F2alpha(1-) C20H33O5 -1 C00639 5283078 15553 PXGPLTODNUVGFL-YNNPMVKQSA-M HMDB01139 02/07/2014 Eicosanoid metabolism prostgh2 prostaglandin H2(1-) C20H31O5 -1 C00427 445049 15554 YIBNHAJFJUQSRA-YNNPMVKQSA-M HMDB01381 02/07/2014 Eicosanoid metabolism prostgi2 prostaglandin I2(1-) C20H31O5 -1 C01312 5282411 15552 KAQKFAOMNZTLHT-OZUDYXHBSA-M HMDB01335 02/07/2014 Eicosanoid metabolism PROT_LLA Protein_for_biomass__Lactis_specific__v1 C4869H7804N1364O1390S59 0 02/07/2014 PROT_LLA_v3 Protein_for_biomass__lactis_specific__v3 C4869H7804N1364O1390S59 0 02/07/2014 PROT_LPL_v60 L_plantarum_specific_protein_composition_for_biomass_version_60 X 0 02/07/2014 PROT_STR protein_for_S_thermophilus_CNRZ1066 X 0 02/07/2014 protein Protein (generic placeholder) X 0 02/07/2014 Protein formation proteinsynth Protein biosynthesis X X 0 30/09/2014 protochloroph Protochlorophyllide C35H30MgN4O5 -1 HMDB0031148 08/03/2016 Porphyrin and chlorophyll metabolism protrna L-Prolyl-tRNA(Pro) C5H8NOR 1 02/07/2014 tRNA Charging protrplys Prolyl-Tryptophanyl-Lysine C22H32N5O4 1 FYXCBXDAMPEHIQ-JLMCIHFGSA-O 03/01/2017 Peptide metabolism protrpthr Prolyl-Tryptophanyl-Threonine C20H26N4O5 0 VBZXFFYOBDLLFE-HSHDSVGOSA-N 03/01/2017 Peptide metabolism provalgln Prolyl-Valyl-Glutamine C15H26N4O5 0 JXVXYRZQIUPYSA-OJBNZGHXSA-N 03/01/2017 Peptide metabolism prpncoa acryloyl-CoA(4-) C24H34N7O17P3S -4 C00894 439340 15513 POODSGUMUCVRTR-IEXPHMLFSA-J HMDB02307 02/07/2014 Beta-alanine metabolism prpnt Propynoate C3HO2 C3HO2 -1 19/09/2018 Chloroalkane and chloroalkene degradation prpp 5-Phospho-alpha-D-ribose 1-diphosphate C5H8O14P3 -5 C00119 7339 17111 PQGCEDQWHSBAJP-TXICZTDVSA-I HMDB00280 02/07/2014 Histidine metabolism prx_mI Paroxetine Mi C19H22FNO3 C19H23FNO3 1 01/03/2019 Drug metabolism prx_mI_glc Paroxetine Mi Glucuronide C25H30FNO9 C25H31FNO9 1 01/03/2019 Drug metabolism prx_mII Paroxetine Mii C19H22FNO3 C19H23FNO3 1 01/03/2019 Drug metabolism prx_mII_glc Paroxetine Mii Glucuronide C25H30FNO9 C25H31FNO9 1 01/03/2019 Drug metabolism prxn Paraoxon C10H14NO6P 0 19/09/2018 Xenobiotics metabolism ps_HP Phosphatidylserine Hp specific C39H73NO10P -1 17/07/2015 ps_hs phosphatidylserine C6H11NO6PFULLRCO2FULLR2CO2 -1 6323481 18303 UNJJBGNPUUVVFQ-ZJUUUORDSA-N HMDB0014291 02/07/2014 Glycerophospholipid metabolism ps120 phosphatidylserine (didodecanoyl, n-C12:0) C30H57N1O10P1 -1 C02737 0 02/07/2014 Glycerophospholipid metabolism ps140 phosphatidylserine (ditetradecanoyl, n-C14:0) C34H65N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps141 phosphatidylserine (ditetradec-7-enoyl, n-C14:1) C34H61N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps160 phosphatidylserine (dihexadecanoyl, n-C16:0) C38H73N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps161 phosphatidylserine (dihexadec-9-enoyl, n-C16:1) C38H69N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps180 phosphatidylserine (dioctadecanoyl, n-C18:0) C42H81N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps181 phosphatidylserine (dioctadec-11-enoyl, n-C18:1) C42H77N1O10P1 -1 02/07/2014 Glycerophospholipid metabolism ps2_ST Membrane phosphatidylserine mixture X 0 02/07/2014 psai15 Phosphatidylserine (12-methyl-tetradecanoyl, anteiso-C15) C36H69NO10P -1 02/07/2014 Glycerophospholipid metabolism psai17 Phosphatidylserine (14-methyl-hexadecanoyl, anteiso-C17) C40H77NO10P -1 02/07/2014 Glycerophospholipid metabolism psclys psicoselysine C12H25N2O7 1 02/07/2014 Starch and sucrose metabolism psd5p Pseudouridine 5-phosphate C9H11N2O9P -2 02/07/2014 Nucleotide interconversion psdurdn Pseudouridine C9H12N2O6 0 19/09/2018 Nucleotide interconversion pser Protein serine C4H6N2O3R2 0 19/09/2018 Histone phosphorylation pser_D D-O-Phosphoserine C3H8NO6P C3H6NO6P -2 C02532 5539 37713 N[C@H](COP(O)(O)=O)C(O)=O 02/07/2014 Glycine, serine, alanine, and threonine metabolism pser_L O-Phospho-L-serine C3H8NO6P C3H6NO6P -2 C01005 68841 15811 BZQFBWGGLXLEPQ-REOHCLBHSA-L N[C@@H](COP(O)(O)=O)C(O)=O HMDB00272 02/07/2014 Glycine, serine, alanine, and threonine metabolism psi14 Phosphatidylserine (12-methyl-tridecanoyl, iso-C14) C34H65NO10P -1 02/07/2014 Glycerophospholipid metabolism psi15 Phosphatidylserine (13-methyl-tetradecanoyl, iso-C15) C36H69NO10P -1 02/07/2014 Glycerophospholipid metabolism psi16 Phosphatidylserine (14-methyl-pentadecanoyl, iso-C16) C38H73NO10P -1 02/07/2014 Glycerophospholipid metabolism psi17 Phosphatidylserine (15-methyl-hexadecanoyl, iso-C17) C40H77NO10P -1 02/07/2014 Glycerophospholipid metabolism psics_D D-Psicose C6H12O6 C6H12O6 0 C06468 26/08/2019 Fructose and mannose metabolism pslac (2R)-O-phospho-3-sulfolactic acid C3H7O9PS C3H3O9PS -4 C11536 13703 32896 OC(=O)[C@H](CS(O)(=O)=O)OP(O)(O)=O 03/02/2015 Methane metabolism psyl psyllium C9642006H15428700O8667414 0 02/07/2014 Dietary fiber binding psylchol psillium-glycocholic acid complex C9642032H15428743NO8667420 0 02/07/2014 Dietary fiber binding psyltchol psyllium-taurocholic acid complex C9642032H15428745NO8667421S 0 02/07/2014 Dietary fiber binding psyltdechol psyllium-taurodeoxycholic acid complex C9642032H15428744NO8667420S -1 02/07/2014 Dietary fiber binding ptd Peptide C4H6N2O3R2 0 19/09/2018 Glutathione metabolism ptdaatrna Peptidyl-aminoacyl-tRNA C21H29N3O19P2R6 -2 19/09/2018 Miscellaneous ptdca pentadecanoate C15H29O2 -1 C16537 13849 42504 WQEPLUUGTLDZJY-UHFFFAOYSA-M HMDB00826 02/07/2014 Fatty acid synthesis ptdcacoa pentadecanoyl Coenzyme A C36H60N7O17P3S -4 SCSXIEYDNTTXJN-LCHJEVOHSA-J HMDB06499 02/07/2014 Fatty acid oxidation ptdcacrn pendtadenoyl carnitine C22H43NO4 0 MDDWQHVKSHTZTD-FQEVSTJZSA-N 02/07/2014 Fatty acid oxidation ptdtrna Peptidyl-tRNA C19H27N2O18P2R5 -2 19/09/2018 Miscellaneous pthamd Phthalylamide C8H5NO3R -1 19/09/2018 Xenobiotics metabolism pthn Parathion C10H14NO5PS 0 19/09/2018 Xenobiotics metabolism ptrc Putrescine C4H14N2 2 C00134 1045 17148 KIDHWZJUCRJVML-UHFFFAOYSA-P HMDB01414 02/07/2014 Arginine and proline metabolism ptrpn Pseudotropine C8H15NO 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis ptth pantetheine C11H22N2O4S 0 C00154 15667 16753 ZNXZGRMVNNHPCA-VIFPVBQESA-N HMDB01338 02/07/2014 CoA catabolism ptvm13lac pitavastatin-M13-lactone C50H44CaF2N2O8 C50H44CaF2N2O8 0 02/07/2014 ptvst pitavastatin C50H46CaF2N2O8 C50H46CaF2N2O8 0 5282452 VGYFMXBACGZSIL-MCBHFWOFSA-N HMDB0041991 02/07/2014 Drug metabolism ptvstgluc pitavastatin-glucuronide C62H62CaF2N2O20 C62H62CaF2N2O20 0 02/07/2014 Drug metabolism ptvstlac pitavastatin-lactone C50H42CaF2N2O6 C50H44CaF2N2O6 2 02/07/2014 Drug metabolism ptvstm13 pitavastatin-M13 C50H46CaF2N2O10 C50H46CaF2N2O10 0 02/07/2014 Drug metabolism ptvstm3 pitavastatin-M3 C50H42CaF2N2O8 C50H42CaF2N2O8 0 02/07/2014 Drug metabolism ptyr Protein tyrosine C10H10N2O3R2 0 19/09/2018 Tyrosine metabolism pullulan1200 pullulan (n=1200 repeat units, alpha-1,4 and alph-1,6 bounds) C7200H12002O6001 0 02/07/2014 Starch and sucrose metabolism purine Purine C5H4N4 0 19/09/2018 Purine catabolism purine_1 Purine C5H5N4 0 02/07/2014 pvmcn O-Phosphoviomycin C25H45N13O13P 1 19/09/2018 Xenobiotics metabolism pvs pravastatin C23H35NaO7 C23H35NaO7 0 54687 TUZYXOIXSAXUGO-PZAWKZKUSA-N 02/07/2014 Drug metabolism pvsgluc pravastatin glucuronide C29H43NaO13 C29H42NaO13 -1 02/07/2014 Drug metabolism pxthn Paraxanthine C7H8N4O2 0 19/09/2018 Caffeine metabolism pyam5p Pyridoxamine 5-phosphate C8H12N2O5P -1 C00647 1053 18335 ZMJGSOSNSPKHNH-UHFFFAOYSA-M HMDB01555 02/07/2014 Vitamin B6 metabolism pydam Pyridoxamine C8H13N2O2 1 C00534 1052 16410 NHZMQXZHNVQTQA-UHFFFAOYSA-O HMDB01431 02/07/2014 Vitamin B6 metabolism pydx Pyridoxal C8H9NO3 0 C00250 1050 17310 RADKZDMFGJYCBB-UHFFFAOYSA-N HMDB01545 02/07/2014 Vitamin B6 metabolism pydx5p Pyridoxal 5-phosphate C8H8NO6P -2 C00018 1051 18405 NGVDGCNFYWLIFO-UHFFFAOYSA-L HMDB01491 02/07/2014 Selenoamino acid metabolism pydxn Pyridoxine C8H11NO3 0 C00314 1054 16709 LXNHXLLTXMVWPM-UHFFFAOYSA-N HMDB00239 02/07/2014 Vitamin B6 metabolism pylald perillyl aldehyde C10H14O 0 C02576 16441 15421 RUMOYJJNUMEFDD-UHFFFAOYSA-N HMDB03647 02/07/2014 Limonene and pinene degradation pyr Pyruvate C3H3O3 -1 C00022 1060 32816 LCTONWCANYUPML-UHFFFAOYSA-M HMDB00243 02/07/2014 Alanine and aspartate metabolism pyrimid Pyrimidine C4H4N2 0 02/07/2014 pyrin Pyrimidine_nucleoside C9H14N2O4 0 02/07/2014 pyrtht 6-pyruvoyl tetrahydropterin X 0 02/07/2014 pyrzl Pyrazole C3H4N2 0 19/09/2018 Glycine, serine, alanine, and threonine metabolism q10 ubiquinone-10 C59H90O4 0 C00399 4462 46245 ACTIUHUUMQJHFO-UPTCCGCDSA-N HMDB02012 02/07/2014 Citric acid cycle q10h2 Ubiquinol-10 C59H92O4 0 C00390 5280344 64183 QNTNKSLOFHEFPK-UPTCCGCDSA-N HMDB01304 02/07/2014 Citric acid cycle q8 Ubiquinone-8 C49H74O4 0 02/07/2014 Citric acid cycle q8h2 Ubiquinol-8 C49H76O4 0 HMDB01060 02/07/2014 Citric acid cycle qn Chinone C6H4O2 C6H4O2 0 02/07/2014 Respiration qrctn Quercetin C15H9O7 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism qrctn3mg Quercetin 3-O-malonylglucoside C24H21O15 -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism quin Quinine C20H25N2O2 1 C06526 01/10/2018 Phenylalanine metabolism quint Quinate C7H12O6 C7H11O6 -1 HMDB03072 02/07/2014 Caffeine metabolism quln quinolinate(2-) C7H3NO4 -2 C03722 1066 16675 GJAWHXHKYYXBSV-UHFFFAOYSA-L HMDB00232 02/07/2014 NAD metabolism R_6oh_warf R-6-Hydroxywarfarin C19H16O5 C19H15O5 -1 54750067 01/03/2019 Drug metabolism R_6oh_warf_glc R-6-Hydroxywarfarin Glucuronate C25H24O11 C25H24O11 0 01/03/2019 Drug metabolism R_7oh_warf R-7-Hydroxywarfarin C19H16O5 C19H15O5 -1 54732122 01/03/2019 Drug metabolism R_7oh_warf_glc R-7-Hydroxy Warfarin Glucuronate C25H24O11 C25H24O11 0 01/03/2019 Drug metabolism R_8oh_warf R-8-Hydroxywarfarin C19H16O5 C19H15O5 -1 54744201 01/03/2019 Drug metabolism R_8oh_warf_glc R-8-Hydroxywarfarin Glucuronate C25H24O11 C25H24O11 0 01/03/2019 Drug metabolism r15bp D-Ribose 1,5-bisphosphate C5H8O11P2 -4 02/07/2014 Nucleotide sugar metabolism R1coa_hs R group 1 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 Cholesterol metabolism r1p alpha-D-Ribose 1-phosphate C5H9O8P -2 C00620 439236 16300 YXJDFQJKERBOBM-TXICZTDVSA-L HMDB01489 02/07/2014 Drug metabolism R2coa_hs R group 2 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 Cholesterol metabolism r2hglu (R)-2-Hydroxyglutarate C5H6O5 -2 19/09/2018 Fatty acid oxidation r2hic (R)-2-Hydroxyisocaproate C6H12O3 C6H11O3 -1 C03264 20/12/2017 Valine, leucine, and isoleucine metabolism r2hiccoa (R)-2-Hydroxyisocaproyl-CoA C27H46N7O18P3S C27H42N7O18P3S -4 C21089 20/12/2017 Valine, leucine, and isoleucine metabolism r2mn1pol (R)-2-Methylimino-1-phenylpropan-1-ol C10H13NO 0 19/09/2018 Phenylalanine metabolism r34hpacoa (R)-3-(4-Hydroxyphenyl)acrylyl-CoA C30H42N7O18P3S C30H38N7O18P3S -4 20/12/2017 Tyrosine metabolism r34hpl (R)-3-(4-Hydroxyphenyl)lactate C9H10O4 C9H9O4 -1 C03964 20/12/2017 Tyrosine metabolism r34hplcoa (R)-3-(4-Hydroxyphenyl)lactyl-CoA C30H44N7O19P3S C30H40N7O19P3S -4 20/12/2017 Tyrosine metabolism r34hpp (R)-3-(4-Hydroxyphenyl)propionate C9H10O3 C9H9O3 -1 - 20/12/2017 r34hppcoa (R)-3-(4-Hydroxyphenyl)propionyl-CoA C30H44N7O18P3S C30H40N7O18P3S -4 20/12/2017 Tyrosine metabolism R3coa_hs R group 3 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 R group synthesis r3haacp (R)-3-Hydroxyacyl-[acyl-carrier protein] C3H4O2S 0 C01649 12/11/2020 r3hacoa (R)-3-Hydroxyacyl-CoA C24H36N7O18P3RS -3 19/09/2018 Fatty acid oxidation r406 R406 C22H23FN6O5 C22H23FN6O5 0 01/03/2019 Drug metabolism r406_glc Lactam N-Glucuronide Of R406 C28H31FN6O11 C28H31FN6O11 0 01/03/2019 Drug metabolism R4coa_hs R group 4 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 R group synthesis r529 R529 C21H21FN6O5 C21H21FN6O5 0 01/03/2019 Drug metabolism r529_glc Glucuronide R529 C27H29FN6O11 C27H29FN6O11 0 01/03/2019 Drug metabolism R5coa_hs R group 5 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 R group synthesis r5p alpha-D-Ribose 5-phosphate C5H9O8P -2 C00117 439167 18189 KTVPXOYAKDPRHY-NEEWWZBLSA-L HMDB01548 02/07/2014 NAD metabolism R6coa_hs R group 6 Coenzyme A XCO2C21H31N7O15P3S -4 02/07/2014 R group synthesis r788 R788 (Fostamatinib) C23H26FN6O9P C23H25FN6O9P -1 01/03/2019 Drug metabolism raffin Raffinose C18H32O16 0 HMDB03213 02/07/2014 Fructose and mannose metabolism ragund rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate C69H113N1O16P2 -2 02/07/2014 razur Reduced azurin X X 1 30/09/2014 Nitrogen metabolism rb15bp D-Ribulose 1,5-bisphosphate C5H12O11P2 C5H8O11P2 -4 02/07/2014 Carbon fixation in photosynthetic organisms rbflvrd Reduced riboflavin C17H22N4O6 0 HMDB01557 02/07/2014 Respiration rbl_D D-ribulose C5H10O5 0 C00309 151261 17173 ZAQJHHRNXZUBTE-NQXXGFSBSA-N HMDB00621 02/07/2014 Pentose and glucuronate interconversions rbl_L L-Ribulose C5H10O5 0 HMDB03371 02/07/2014 Pentose and glucuronate interconversions rbpclys [Ribulose-1,5-bisphosphate-carboxylase]-lysine C7H13N3O2R2 0 19/09/2018 Lysine metabolism rbpcnmlys [Ribulose-1,5-bisphosphate-carboxylase]-N6-methyl-L-lysine C8H15N3O2R2 0 19/09/2018 Lysine metabolism rbt D-ribitol C5H12O5 0 C00474 827 15963 HEBKCHPVOIAQTA-ZXFHETKHSA-N HMDB00508 02/07/2014 Pentose and glucuronate interconversions rbt5p D_Ribitol_5_phosphate C5H12O8P -1 02/07/2014 Pentose and glucuronate interconversions rcfcn Raucaffricine C27H32N2O8 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism rch2nh2 RCH2NH2 CH4NR 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism rcnl (R)-(+)-Citronellal C10H18O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism rdmbzi N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole C14H18N2O4 0 02/07/2014 Vitamin B12 metabolism rdpn Rhodopin C40H58O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism rdvn Rhodovibrin C41H60O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism regfnb Regorafenib C21H15ClF4N4O3 0 68647 13/05/2020 Drug metabolism regfnb_glc regorafenib-N-ß-glucuronide C27H23ClF4N4O9 0 13/05/2020 Drug metabolism remnant1 residual-atoms-of-reaction-DMBZIDSYN C4H2N2O3 0 02/07/2014 rep Repaglinide C27H36N2O4 C27H35N2O4 -1 C07670 65981 01/03/2019 Drug metabolism rep_glc Repaglinide Acyl-Beta-D-Glucuronide C33H44N2O10 C33H43N2O10 -1 129627351 01/03/2019 Drug metabolism retfa fatty acid retinol C20H29OFULLR2CO 0 02/07/2014 Vitamin A metabolism retinal retinal C20H28O 0 C00376 638015 15035 NCYCYZXNIZJOKI-UHFFFAOYSA-N HMDB01358 02/07/2014 Vitamin A metabolism retinal_11_cis 11-cis-retinal C20H28O 0 C02110 5280490 16066 NCYCYZXNIZJOKI-IOUUIBBYSA-N HMDB02152 02/07/2014 Vitamin A metabolism retinal_cis_13 13-cis-retinal C20H28O 0 C00376 6436079 45487 NCYCYZXNIZJOKI-HWCYFHEPSA-N HMDB06220 02/07/2014 Vitamin A metabolism retinal_cis_9 all-trans-retinal C20H28O 0 C00376 638015 17898 NCYCYZXNIZJOKI-OVSJKPMPSA-N HMDB01358 02/07/2014 Vitamin A metabolism retinol retinol C20H30O 0 C00473 445354 50211 FPIPGXGPPPQFEQ-UHFFFAOYSA-N HMDB00305 02/07/2014 Fatty acid oxidation retinol_9_cis 9-cis-retinol C20H30O 0 C00473 445354 17336 FPIPGXGPPPQFEQ-OVSJKPMPSA-N HMDB00305 02/07/2014 Vitamin A metabolism retinol_cis_11 11-cis-retinol C20H30O 0 C00899 5280382 16302 FPIPGXGPPPQFEQ-FBVOPCRUSA-N HMDB06216 02/07/2014 Vitamin A metabolism retinol_cis_13 13-cis-retinol C20H30O 0 C19962 9904001 45479 FPIPGXGPPPQFEQ-HWCYFHEPSA-N HMDB06221 02/07/2014 Vitamin A metabolism retn all-trans-retinoate C20H27O2 -1 C00777 444795 15367 SHGAZHPCJJPHSC-YCNIQYBTSA-M HMDB01852 02/07/2014 Vitamin A metabolism retncoa retinoyl CoA C41H58N7O17P3S -4 14232703 GREHPZMOJNYZIO-QXBAZQDESA-J HMDB06508 02/07/2014 Vitamin A metabolism retnglc retinoyl glucuronide C26H35O8 -1 C11061 5281877 28870 MTGFYEHKPMOVNE-JZXLACIESA-M HMDB03141 02/07/2014 Vitamin A metabolism retpalm Retinyl palminate C36H60O2 0 02/07/2014 rhama L-rhamnonate C6H12O6 -1 02/07/2014 rhamnogalurI Potato rhamnogalacturonan I, MW assumed ~200000, 62 galur, 20 rmn, 12 gal, 3 arab-L, 1 xyl-D (www.megazyme.com, PMID: 16661590) C5840H7862O5281 -620 G09800 02/07/2014 Plant polysaccharide degradation rhamnogalurII Wine rhamnogalacturonan II, MW ~ 5-10 kDa, 37% galur, 16% rmn, 3% fuc-L, 11% arab-L, 6% gal, 5% glcur, 4% 2omfuc, 3% 2omxyl, 6% ... C317H445O273 -27 G06506 02/07/2014 Plant polysaccharide degradation rhcys S-Ribosyl-L-homocysteine C9H17NO6S 0 02/07/2014 Glycerophospholipid metabolism rib_D D-ribose C5H10O5 0 C00121 5779 47013 HMFHBZSHGGEWLO-SOOFDHNKSA-N HMDB00283 02/07/2014 Methionine and cysteine metabolism ribflv Riboflavin C17H20N4O6 0 C00255 493570 17015 AUNGANRZJHBGPY-SCRDCRAPSA-N HMDB00244 02/07/2014 Respiration rml L-Rhamnulose C6H12O5 0 HMDB0010207 02/07/2014 Fructose and mannose metabolism rml1p L-Rhamnulose 1-phosphate C6H11O8P -2 02/07/2014 Fructose and mannose metabolism rmn L-Rhamnose C6H12O5 0 HMDB00849 02/07/2014 Fructose and mannose metabolism rmndlmd (R)-Mandelamide C8H9NO2 0 19/09/2018 Aminobenzoate degradation rmndlt (R)-Mandelate C8H7O3 -1 19/09/2018 Aminobenzoate degradation RNA_LLA RNA_biosynthesis__lactis_ C958H1078N394O696P100 0 02/07/2014 RNA_LPL RNA__LPL_specific X 0 02/07/2014 rnam N-Ribosylnicotinamide C11H15N2O5 1 C03150 439924 15927 JLEBZPBDRKPWTD-TURQNECASA-O HMDB00855 02/07/2014 NAD metabolism rnatrans RNA transcription X X 0 30/09/2014 rnsdtp Ribonucleoside triphosphate C5H9O13P3R -3 19/09/2018 Miscellaneous roh ROH HOR 0 19/09/2018 Glutathione metabolism rooh Hydroperoxide HO2R 0 19/09/2018 Glutathione metabolism rphacoa (R)-Phenyllactyl-CoA C30H41N7O18P3S -3 19/09/2018 Phenylalanine metabolism rpn_104557 SKF 104557 (N-Despropyl Ropinirole) C13H18N2O C13H19N2O 1 10398490 01/03/2019 Drug metabolism rpn_104557_cb_glc SKF 104557 Carbamyl Glucuronide C20H26N2O9 C20H27N2O9 1 01/03/2019 Drug metabolism rpn_96990 SKF 96990 C13H18N2O2 C13H19N2O2 1 10398490 01/03/2019 Drug metabolism rpn_96990_glc SKF 96990 Glucuronide C19H26N2O8 C19H26N2O8 0 01/03/2019 Drug metabolism rpn_oh Hydroxy Ropinirole C16H24N2O2 C16H25N2O2 1 133741 01/03/2019 Drug metabolism rpn_oh_glc SKF 89124 Glucuronide C22H32N2O8 C22H32N2O8 0 01/03/2019 Drug metabolism rrtcln (R)-Reticuline C19H23NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis rscys R-S-Cysteine C3H6NO2RS C3H6NO2RS 0 C05726 01/07/2019 Glutathione metabolism rsgth R-S-Glutathione C10H14N3O6RS -2 19/09/2018 Glutathione metabolism rssr Oxidized thiol-containing reductant (R-S-S-R) R2S2 0 19/09/2018 Sulfur metabolism rsv rosuvastatin C44H54CaF2N6O12S2 C44H54CaF2N6O12S2 0 D01915 446157 BPRHUIZQVSMCRT-VEUZHWNKSA-N 02/07/2014 Drug metabolism rsvgluc rosuvastatin-glucuronide C56H70CaF2N6O24S2 C56H70CaF2N6O24S2 0 02/07/2014 Drug metabolism rsvlac rosuvastatin-5S-lactone C44H52CaF2N6O10S2 C44H52CaF2N6O10S2 2 02/07/2014 Drug metabolism RTA teichoic_acid_containing_ribitol_P C144H283N2O193P27 0 02/07/2014 RTAala ribitol_teichoic_acid__n25__with_D_Ala_substitutions X 0 02/07/2014 RTAglc ribitol_teichoic_acid__n25__with_glucose_substitutions C294H533N2O318P27 0 02/07/2014 Rtotal R total CO2FULLR -1 02/07/2014 Fatty acid oxidation Rtotal2 R total 2 position CO2FULLR2 -1 02/07/2014 Fatty acid oxidation Rtotal2coa R total 2 coenzyme A CO2FULLR2C21H31N7O15P3S -4 02/07/2014 Fatty acid oxidation Rtotal2crn R total 2 carnitine CO2FULLR2C7H14NO2 0 02/07/2014 Fatty acid oxidation Rtotal3 R total 3 position CO2FULLR3 -1 02/07/2014 Glycerophospholipid metabolism Rtotal3coa R total 3 Coenzyme A CO2FULLR3C21H31N7O15P3S -4 02/07/2014 Fatty acid oxidation Rtotal3crn R total 3 carnitine CO2FULLR3C7H14NO2 0 02/07/2014 Fatty acid oxidation Rtotalcoa R total Coenzyme A CO2FULLRC21H31N7O15P3S -4 02/07/2014 Cholesterol metabolism Rtotalcrn R total carnitine CO2FULLRC7H14NO2 0 02/07/2014 Fatty acid oxidation ru5p_D D-ribulose 5-phosphate(2-) C5H9O8P -2 C00199 439184 17363 FNZLKVNUWIIPSJ-UHNVWZDZSA-L HMDB00618 02/07/2014 Methane metabolism ru5p_L L-Ribulose 5-phosphate C5H9O8P -2 02/07/2014 Pentose and glucuronate interconversions rvcian (R)-Vicianin C19H25NO10 0 19/09/2018 Plant polysaccharide degradation s Sulfur S 0 HMDB00598 02/07/2014 Biotin metabolism S_4oh_warf S-4-Hydroxywarfarin C19H16O5 C19H15O5 -1 54717350 01/03/2019 Drug metabolism S_4oh_warf_glc S-4-Hydroxywarfarin Glucuronate C25H24O11 C25H24O11 0 01/03/2019 Drug metabolism S_6oh_warf S-6-Hydroxywarfarin C19H16O5 C19H15O5 -1 54731323 01/03/2019 Drug metabolism S_6oh_warf_glc S-6-Hydroxywarfarin Glucuronate C25H24O11 C25H24O11 0 01/03/2019 Drug metabolism s17bp Sedoheptulose 1,7-bisphosphate C7H12O13P2 -4 HMDB0060274 02/07/2014 Carbon fixation in photosynthetic organisms s2ha (S)-2-Hydroxy acid C2H2O3R -1 19/09/2018 Glyoxylate and dicarboxylate metabolism s2hagth S-(2-Hydroxyacyl)glutathione C12H16N3O8RS -2 19/09/2018 Pyruvate metabolism s2hglrt (S)-2-Hydroxyglutarate C5H6O5 -2 19/09/2018 Pyruvate metabolism s2l2fn2m2masn PA6 C90H145N6O65X -2 G00018 02/07/2014 N-glycan degradation s2l2n2m2m de-Fuc form of PA6 (w/o peptide linkage) C84H136N6O62 -2 02/07/2014 Miscellaneous s2l2n2m2masn de-Fuc form of PA6 C84H135N6O61X -2 02/07/2014 N-glycan degradation s2l2n2m2mn de-Fuc, reducing GlcNAc removed form of PA6 (w/o peptide linkage) C76H123N5O57 -2 02/07/2014 N-glycan degradation s37dmo6nl (S)-3,7-Dimethyloct-6-enal C10H18O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism s3meacmp sulphate-conjugate-3-methoxy-acetaminophen C8H9NO6S C8H8NO6S -1 02/07/2014 Drug metabolism s3sflact (S)-3-Sulfolactate C3H4O6S -2 19/09/2018 Methionine and cysteine metabolism s7p Sedoheptulose 7-phosphate C7H13O10P -2 C00281 22833559 15721 JDTUMPKOJBQPKX-GBNDHIKLSA-L HMDB01068 02/07/2014 Carbon fixation in photosynthetic organisms sacald Sulfoacetaldehyde C2H4O4S C2H3O4S -1 C00593 24/02/2015 Methane metabolism saccrp_L L-saccharopinate(1-) C11H19N2O6 -1 C00449 160556 16927 ZDGJAHTZVHVLOT-YUMQZZPRSA-M HMDB00279 02/07/2014 Lysine metabolism sacysso S-Alkyl-L-cysteine S-oxide C3H5NO3RS -1 19/09/2018 Sulfur metabolism salc Salicylic acid, o-Hydroxybenzoic acid C7H6O3 C7H5O3 -1 02/07/2014 Biosynthesis of siderophore group nonribosomal peptides salc6p Salicin 6-phosphate C13H17O10P -2 C06188 02/07/2014 Glycolysis/gluconeogenesis salchs1 Salmochelin-S1 C26H30N2O16 0 02/07/2014 salchs2 Salmochelin-S2 C42H49N3O26 0 02/07/2014 salchs2fe Salmochelin-S2-Fe-III C42FeH49N3O26 0 02/07/2014 salchs4 Salmochelin-S4 C42H47N3O25 0 02/07/2014 salchs4fe Salmochelin-S4-Fe-III C42FeH47N3O25 0 02/07/2014 salchsx Salmochelin-SX C16H21NO11 0 02/07/2014 salcn Salicin C13H18O7 0 C01451 439503 NGFMICBWJRZIBI-UJPOAAIJSA-N HMDB03546 02/07/2014 Histone phosphorylation samn Substituted amine H2NR 0 19/09/2018 Xenobiotics metabolism sanilamide Sulfanilamide C6H8N2O2S C6H8N2O2S 0 C07458 5333 01/03/2019 Drug metabolism sarcs Sarcosine C3H7NO2 0 C00213 1088 15611 FSYKKLYZXJSNPZ-UHFFFAOYSA-N HMDB00271 02/07/2014 Glycine, serine, alanine, and threonine metabolism sb_611855 Sb-611855 (Intermediate Of M3) C13H11NO3 C13H10NO3 -1 01/03/2019 Drug metabolism sb_y Sb_Y (Intermediate Of M4) C12H15N3O C12H14N3O -1 01/03/2019 Drug metabolism sbcoa suberylcoa C29H43N7O19P3S -5 DBCRIBJPCBKAME-IHYVFSBVSA-I 02/07/2014 Fatty acid oxidation sbt_D D-glucitol C6H14O6 0 C00794 5780 17924 FBPFZTCFMRRESA-FSIIMWSLSA-N HMDB00247 02/07/2014 Fructose and mannose metabolism sbt_L L-Sorbitol (iMM904) C6H14O6 C6H14O6 0 C01722 82170 08/03/2016 sbt6p D-Sorbitol 6-phosphate C6H13O9P -2 HMDB05831 02/07/2014 Fructose and mannose metabolism sbzcoa O-Succinylbenzoyl-CoA C32H39N7O20P3S -5 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis scclrn (S)-Coclaurine C17H19NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis scfa_total_dr Total SCFA (acetate, propionate, butyrate) production, default ratio 1:1:1 C9H15O6 -3 02/07/2014 scfa_total_rr Total SCFA (acetate, propionate, butyrate) production, default ratio 57:22:21 X -1 02/07/2014 sch_488128 SCH 488128 C30H29F2NO9 C30H28F2NO9 -1 01/03/2019 Drug metabolism sch_57871 SCH 57871 C24H19F2NO3 C24H19F2NO3 0 01/03/2019 Drug metabolism sch_57871_glc SCH 57871 Glucuronide C30H27F2NO9 C30H26F2NO9 -1 01/03/2019 Drug metabolism scl sirohydrochlorin C42H39N4O16 -7 02/07/2014 Vitamin B12 metabolism scl2 sirohydrochlorin 2 C42H38N4O16 -8 12/11/2020 Vitamin B12 metabolism sclaldh Salicylaldehyde C7H6O2 0 19/09/2018 Fructose and mannose metabolism sctbrn (S)-Corytuberine C19H21NO4 0 19/09/2018 Methionine and cysteine metabolism scys_L S-sulfocysteine C3H6NO5S2 -1 C05892 12/11/2020 Sulfur metabolism sdplgal GDP-L-galactose C16H23N5O16P2 -2 19/09/2018 Ascorbate and aldarate metabolism seahcys Se-Adenosylselenohomocysteine C14H20N6O5Se 0 C05692 16682731 UVSMMLABJBJNGH-WFMPWKQPSA-N HMDB0011117 02/07/2014 Selenoamino acid metabolism seasmet Se-Adenosylselenomethionine C15H23N6O5Se 1 C05691 24892761 9066 GGJFWMOVUFBSIN-AIRLBKTGSA-O HMDB0011118 02/07/2014 Selenoamino acid metabolism sebacid sebacicacid C10H16O4 -2 C08277 5192 41865 CXMXRPHRNRROMY-UHFFFAOYSA-L HMDB00792 02/07/2014 Fatty acid oxidation sebcoa sebacoylcoa C31H47N7O19P3S -5 JZXNELIZHJCEFA-CQDVDCODSA-I 02/07/2014 Fatty acid oxidation sectrna L-Selenocysteinyl-tRNA(Sec) C3H6NOSeR 1 02/07/2014 Selenoamino acid metabolism sel selenate O4Se -2 C05697 26473 18170 QYHFIVBSNOWOCQ-UHFFFAOYSA-L HMDB0062761 02/07/2014 Drug metabolism selcys selenocysteine C3H7NO2Se 0 C05688 25076 9093 ZKZBPNGNEQAJSX-UHFFFAOYSA-N HMDB03288 02/07/2014 Selenoamino acid metabolism selcyst Selenocystathionine C7H14N2O4Se 0 C05699 98223 26630 ZNWYDQPOUQRDLY-UHFFFAOYSA-N HMDB06343 02/07/2014 Selenoamino acid metabolism selhcys Selenohomocysteine C4H9NO2Se 0 C05698 440763 9068 RCWCGLALNCIQNM-VKHMYHEASA-N HMDB04119 02/07/2014 Selenoamino acid metabolism selmeth selenomethionine C5H11NO2Se 0 C05335 15103 27585 RJFAYQIBOAGBLC-UHFFFAOYSA-N HMDB03966 02/07/2014 Selenoamino acid metabolism seln Selenide HSe -1 C01528 533 16503 SPVXKVOXSXTJOY-UHFFFAOYSA-M HMDB0011110 02/07/2014 Selenoamino acid metabolism selni selenite SeO3 -2 MCAHWIHFGHIESP-UHFFFAOYSA-L HMDB0011119 02/07/2014 Drug metabolism selnp Selenophosphate H2O3PSe -1 C05172 1092 29269 JRPHGDYSKGJTKZ-UHFFFAOYSA-M HMDB03840 02/07/2014 Selenoamino acid metabolism sephchc 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate X 0 02/07/2014 ser_D D-serine C3H7NO3 0 C00740 71077 16523 MTCFGRXMJLQNBG-UWTATZPHSA-N HMDB03406 02/07/2014 Glycine, serine, alanine, and threonine metabolism Ser_Gly_Ala_X_Gly protein-linked serine residue (glycosaminoglycan attachment site) XH 0 C02189 02/07/2014 Chondroitin sulfate degradation ser_L L-serine C3H7NO3 0 C00065 5951 17115 MTCFGRXMJLQNBG-REOHCLBHSA-N HMDB00187 02/07/2014 Glycerophospholipid metabolism Ser_Thr protein-linked serine or threonine residue (O-glycosylation site) XH 0 02/07/2014 Keratan sulfate degradation seramp L-seryl-AMP C13H19N6O9P 0 02/07/2014 serargala Seryl-Arginyl-Alanine C12H25N6O5 1 GXXTUIUYTWGPMV-BIIVOSGPSA-O 03/01/2017 Peptide metabolism serargtrp Seryl-Arginyl-Tryptophan C20H30N7O5 1 HZWAHWQZPSXNCB-IMJJTQAJSA-O 03/01/2017 Peptide metabolism sercysarg Seryl-Cysteinyl-Arginine C12H25N6O5S 1 BLPYXIXXCFVIIF-BIIVOSGPSA-O 03/01/2017 Peptide metabolism serglyglu Seryl-Glycyl-Glutamate C10H16N3O7 -1 MIJWOJAXARLEHA-WDSKDSINSA-M 03/01/2017 Peptide metabolism serlyshis Seryl-Lysyl-Histidine C15H27N6O5 1 SRKMDKACHDVPMD-TUAOUCFPSA-O 03/01/2017 Peptide metabolism seros L-Serine O-sulfate C3H6NO6S -1 19/09/2018 Glycine, serine, alanine, and threonine metabolism serpethamn Serine phosphoethanolamine C5H13N2O6P 0 19/09/2018 Glycerophospholipid metabolism serphelys Seryl-Phenylalanyl-Lysine C18H29N4O5 1 XVWDJUROVRQKAE-SOUVJXGZSA-O 03/01/2017 Peptide metabolism sertrna L-Seryl-tRNA(Ser) C3H6NO2R 1 02/07/2014 tRNA Charging sertrna_sec L-Seryl-tRNA(Sec) C18H28NO18P2R3 -2 19/09/2018 sertrna_sec_ L-Seryl-tRNA-Sec C3H6NO2R 0 02/07/2014 sertrna(sec) L-Seryl-tRNA(Sec) C3H6NO2R 1 02/07/2014 Selenoamino acid metabolism sertrphis Seryl-Tryptophanyl-Histidine C20H24N6O5 0 XTWXRUWACCXBMU-UAGQMJEPSA-N 03/01/2017 Peptide metabolism sfcys sulfocysteine C3H7NO5S2 C3H6NO5S2 -1 C05824 HMDB00731 02/07/2014 Sfglutth S-formylglutathionate(1-) C11H16N3O7S -1 C01031 189122 16225 FHXAGOICBFGEBF-BQBZGAKWSA-M HMDB01550 02/07/2014 Methane metabolism sflcng Sophoraflavanone G C25H28O6 0 19/09/2018 Terpenoid backbone biosynthesis sfmyctl S-Formylmycothiol C18H30N2O13S 0 19/09/2018 Xenobiotics metabolism sfnd_1689 Nw 1689 (N-Dealkylated Safinamide) C14H11FO3 C14H10FO3 -1 01/03/2019 Drug metabolism sfnd_1689_glc Nw 1689 Acyl Glucuronide C20H19FO9 C20H18FO9 -1 01/03/2019 Drug metabolism sftz Sulfathiazole C9H9N3O2S2 C9H8N3O2S2 -1 C11169 5340 01/03/2019 Drug metabolism sftz_glc Sulfathiazole Glucuronide C15H17N3O8S2 C15H15N3O8S2 -2 01/03/2019 Drug metabolism sgalside_hs sulfatide galactocerebroside C24H45NO10SFULLRCO -1 02/07/2014 Glycerophospholipid metabolism shchc (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate C11H12O6 0 02/07/2014 sheme Siroheme C42H36FeN4O16 -8 02/07/2014 Vitamin B12 metabolism simvgluc simvastatin-acyl-glucuronide C31H48O12 C31H47O12 -1 02/07/2014 Drug metabolism sinapaldh Sinapaldehyde C11H12O4 0 19/09/2018 Isoquinoline alkaloid biosynthesis skatole Skatole, methylindole C9H9N 0 17/07/2015 Tryptophan metabolism skm Shikimate C7H9O5 -1 HMDB03070 02/07/2014 Phenylalanine metabolism skm5p Shikimate 5-phosphate C7H8O8P -3 02/07/2014 Phenylalanine metabolism sl_L (S)-3-sulfonatolactate(2-) C3H4O6S -2 C11499 443233 16712 CQQGIWJSICOUON-UWTATZPHSA-L HMDB0060176 02/07/2014 Methionine and cysteine metabolism sl26da N-Succinyl-LL-2,6-diaminoheptanedioate C11H16N2O7 -2 HMDB0012267 02/07/2014 Lysine metabolism sl2a6o N-Succinyl-2-L-amino-6-oxoheptanedioate C11H12NO8 -3 HMDB0012266 02/07/2014 Lysine metabolism slac (2R)-3-Sulfolactate C3H6O6S C3H5O6S -1 C11537 24/02/2015 Methane metabolism slcys S_Sulfo_L_cysteine C3H6NO5S2 0 02/07/2014 slfcys S-Sulfo-L-cysteine C3H8NO5S2 -1 C05824 115015 27891 NOKPBJYHPHHWAN-REOHCLBHSA-M HMDB00731 02/07/2014 Methionine and cysteine metabolism smap 2-Sulfamoylacetylphenol C8H9NO4S C8H9NO4S 0 194588 01/03/2019 Drug metabolism smap_glc 2-Sulfamoylacetylphenol Glucuronide C14H17NO10S C14H17NO10S 0 01/03/2019 Drug metabolism smv simvastatin lactone form C25H38O5 C25H38O5 0 D00434 54454 HMDB05007 02/07/2014 Drug metabolism smvacid simvastatin dihydroxy acid form C25H40O6 C25H39O6 -1 02/07/2014 Drug metabolism sn38 SN-38 C22H20N2O5 0 19/09/2018 Drug metabolism sn38g SN38 glucuronide C28H28N2O11 C28H28N2O11 0 C11376 01/03/2019 Drug metabolism sn38grnd SN38 glucuronide C28H27N2O11 -1 19/09/2018 Xenobiotics metabolism sn3oggnglyc1p sn-3-O-(Geranylgeranyl)glycerol 1-phosphate C23H40O6P -1 19/09/2018 Geraniol degradation sncclrn (S)-Norcoclaurine C16H17NO3 0 19/09/2018 Isoquinoline alkaloid biosynthesis snmcclrn (S)-N-Methylcoclaurine C18H21NO3 0 19/09/2018 Methionine and cysteine metabolism snpt Sinapate C11H11O5 -1 19/09/2018 Isoquinoline alkaloid biosynthesis so2 sulfur dioxide O2S 0 02/07/2014 Methionine and cysteine metabolism so3 Sulfite O3S -2 C00094 1099 48854 LSNNMFCWUKXFEE-UHFFFAOYSA-L HMDB00240 02/07/2014 Aminosugar metabolism so4 sulfate O4S -2 C00059 1117 16189 QAOWNCQODCNURD-UHFFFAOYSA-L HMDB01448 02/07/2014 Androgen and estrogen synthesis and metabolism somthnnsln (S)-6-O-Methylnorlaudanosoline C17H19NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis spaptrn Sepiapterin C9H11N5O3 0 19/09/2018 Tetrahydrobiopterin metabolism spc_hs sphingosylphosphorylcholine C23H50N2O5P 1 C03640 5280613 52897 JLVSPVFPBBFMBE-HXSWCURESA-O HMDB06482 02/07/2014 Sphingolipid metabolism spdn Spheroidene C41H60O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism spdnn Spheroidenone C41H58O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism sph1p (2S,3R)-2-azaniumyl-3-hydroxyoctadecyl phosphate C18H39NO5P -1 C01120 644260 16893 YHEDRJPUIRMZMP-ZWKOTPCHSA-M HMDB01383 02/07/2014 Glycerophospholipid metabolism sphgn sphinganine(1+) C18H40NO2 1 C00836 91486 16566 OTKJDMGTUTTYMP-ZWKOTPCHSA-O HMDB00269 02/07/2014 Sphingolipid metabolism sphings sphingosine(1+) C18H38NO2 1 C00319 5353955 46964 WWUZIQQURGPMPG-UHFFFAOYSA-O HMDB00252 02/07/2014 Glycosphingolipid metabolism sphmyln_bt Sphingomyelin (B. thetaiotaomicron specific) C40H83N2O6P 0 02/07/2014 sphmyln_hs sphingomyelin betaine C23H48N2O5PFULLRCO 0 58216 CSURBFNJGNBURS-AHHYHCMUSA-P 02/07/2014 Glycerophospholipid metabolism sphmyln180241_hs Sm (D18:0/24:1), Sphingomyelin C47H96N2O6P 0 XZBDYCJQWJNNJB-QZQOTICOSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18114_hs Sm (D18:1/14:0), Sphingomyelin C37H76N2O6P 0 KYICBZWZQPCUMO-SJCQXOIGSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18115_hs Sm (D18:1/15:0), Sphingomyelin C38H78N2O6P 0 LQINJRUGTUOHGS-OWWNRXNESA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18116_hs Sm (D18:1/16:0), Sphingomyelin C39H80N2O6P 0 RWKUXQNLWDTSLO-NHQGMKOOSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln181161_hs Sm (D18:1/16:1), Sphingomyelin C39H78N2O6P 0 OAHFTKWSJGVMTG-ZXFPHQDQSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18117_hs Sm (D18:1/17:0), Sphingomyelin C40H82N2O6P 0 YMQZQHIESOAPQH-QOSDPKFLSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18118_hs Sm (D18:1/18:0), Sphingomyelin C41H84N2O6P 0 LKQLRGMMMAHREN-NWBJSICCSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln181181_hs Sm (D18:1/18:1), Sphingomyelin C41H82N2O6P 0 NBEADXWAAWCCDG-MNIQWHATSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18120_hs Sm (D18:1/20:0), Sphingomyelin C43H88N2O6P 0 AADLTHQNYQJHQV-JMUUFCRMSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln181201_hs Sm (D18:1/20:1), Sphingomyelin C43H86N2O6P 0 MDRFMTLYKHBJTF-BLIGVESQSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18121_hs Sm (D18:1/21:0), Sphingomyelin C44H90N2O6P 0 YXSZOBWVQJIWNE-MHAUTQJVSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18122_hs Sm (D18:1/22:0), Sphingomyelin C45H92N2O6P 0 FJJANLYCZUNFSE-BSKJHSHCSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln181221_hs Sm (D18:1/22:1), Sphingomyelin C45H90N2O6P 0 VBFKEZGCUWHGSK-DGLUTTNBSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln18123_hs Sm (D18:1/23:0), Sphingomyelin C46H94N2O6P 0 SXZWBNWTCVLZJN-NHFVQZBWSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln1824_hs Sm (D18:0/24:0), Sphingomyelin C47H98N2O6P 0 SMJLGESYPKPRNU-UHFFFAOYSA-O 03/01/2017 Glycerophospholipid metabolism sphmyln1825_hs Sm (D18:0/25:0), Sphingomyelin C48H100N2O6P 0 GFLDDOQLLVKYKC-UHFFFAOYSA-O 03/01/2017 Glycerophospholipid metabolism sphs1p sphingosine 1-phosphate(1-) C18H37NO5P -1 C06124 5353956 37550 DUYSYHSSBDVJSM-KRWOKUGFSA-M HMDB00277 02/07/2014 Sphingolipid metabolism spmd Spermidine C7H22N3 3 C00315 1102 16610 ATHGHQPFGPMSJY-UHFFFAOYSA-Q HMDB01257 02/07/2014 Arginine and proline metabolism sprm spermine(4+) C10H30N4 4 C00750 1103 15746 PFNFFQXMRSDOHW-UHFFFAOYSA-R HMDB01256 02/07/2014 Urea cycle spyr 3-Sulfopyruvate C3H4O6S C3H3O6S -1 C05528 24/02/2015 Methane metabolism spz Sulfinpyrazone C23H20N2O3S C23H19N2O3S -1 C07317 5342 01/03/2019 Drug metabolism spz_glc Sulfinpyrazone Glucuronide C29H28N2O9S C29H26N2O9S -2 01/03/2019 Drug metabolism spz_sfn Sulfinpyrazone Sulfone C23H20N2O4S C23H19N2O4S -1 70676 01/03/2019 Drug metabolism spz_sfn_glc Sulfinpyrazone Sulfone Glucuronide C29H28N2O10S C29H26N2O10S -2 01/03/2019 Drug metabolism sql squalene C30H50 0 C00751 11975273 15440 YYGNTYWPHWGJRM-AAJYLUCBSA-N HMDB00256 02/07/2014 Cholesterol metabolism srb_L L-Sorbose C6H12O6 0 C00247 441484 10295 LKDRXBCSQODPBY-BGPJRJDNSA-N HMDB01266 02/07/2014 Fructose and mannose metabolism srbL1p L-Sorbose 1-phosphate C6H12O9P -1 C02888 439837 ZKLLSNQJRLJIGT-OTWZMJIISA-N HMDB06797 02/07/2014 Fructose and mannose metabolism srtn Serotonin C10H13N2O 1 C00780 5202 28790 QZAYGJVTTNCVMB-UHFFFAOYSA-O HMDB00259 02/07/2014 Tryptophan metabolism srv Sorivudine C11H13BrN2O6 C11H13BrN2O6 0 5282192 01/03/2019 Drug metabolism ssaltpp Succinate semialdehyde-thiamin diphosphate anion C16H21N4O10P2S -3 02/07/2014 Pyruvate metabolism Ssq23epx (S)-2,3-epoxysqualene C30H50O 0 C01054 53477723 15441 QYIMSPSDBYKPPY-RSKUXYSASA-N HMDB01188 02/07/2014 Cholesterol metabolism ssz Sulfasalazine C18H14N4O5S C18H12N4O5S -2 C07316 5359476 01/03/2019 Drug metabolism sT_antigen sialyl-T antigen C25H40N2O18X -1 C04901 16565 02/07/2014 Mucin O-glycan biosynthesis sT_antigen_rl released sialyl-Tn antigen C25H42N2O19 C25H41N2O19 -1 G00261 29/03/2017 O-glycan degradation stacmp sulphate-conjugate of thiomethyl-acetaminophen C9H11NO5S2 C9H10NO5S2 -1 02/07/2014 Drug metabolism starch1200 Resistant starch C7200H12002O6001 0 02/07/2014 Starch and sucrose metabolism stcoa Stearoyl-CoA (n-C18:0CoA) C39H66N7O17P3S -4 C00412 439229 15541 SIARJEKBADXQJG-LFZQUHGESA-J HMDB01114 02/07/2014 Cell wall biosynthesis stcrn stearoylcarnitine C25H49NO4 0 6426855 FNPHNLNTJNMAEE-UHFFFAOYSA-N HMDB00848 02/07/2014 Fatty acid oxidation stearcardlip_Bsub Stearoylcardiolipin (B. subtilis) X X 0 30/09/2014 steeth Stearoyl Ethanolamide C20H41NO2 0 27902 OTGQIQQTPXJQRG-UHFFFAOYSA-N HMDB0013078 03/01/2017 Glycerophospholipid metabolism stg Sitagliptin C16H15F6N5O C16H16F6N5O 1 4369359 01/03/2019 Drug metabolism stg_m3 Sitagliptin M3 (Ether Glucuronide Conjugate Of A Hydroxylated Derivative) C22H23F6N5O7 C22H23F6N5O7 0 01/03/2019 Drug metabolism stg_m4 Sitagliptin M4 (N-Carbomyl Glucuronide Conjugate) C23H23F6N5O9 C23H22F6N5O9 -1 71752203 01/03/2019 Drug metabolism sthppvln (S)-Tetrahydropapaveroline C16H17NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis stln Scytalone C10H10O4 0 19/09/2018 Melanin biosynthesis sTn_antigen sialyl-Tn antigen C19H30N2O13X -1 G00035 02/07/2014 Mucin O-glycan biosynthesis strch1 starch, structure 1 (1,6-{7[1,4-Glc], 4[1,4-Glc]}) C66H112O56 0 RZGVYAOTXSCCGK-UHFFFAOYSA-N 02/07/2014 Starch and sucrose metabolism strch2 starch, structure 2 (1,6-{2[1,4-Glc], [1,4-Glc]}) C18H32O16 0 QSESWLKFTMBIPZ-UHFFFAOYSA-N 02/07/2014 Starch and sucrose metabolism strdnc stearidonic acid C18:4, n-3 C18H27O2 -1 C16300 5312508 32389 JIWBIWFOSCKQMA-GHPZAJMGSA-M HMDB06547 02/07/2014 Fatty acid oxidation strdnccoa stearidonyl coenzyme A C39H58N7O17P3S -4 C16163 52922033 DDHCSALWDPRVCN-USWKVXSKSA-J HMDB06519 02/07/2014 Fatty acid oxidation strdnccrn stearidonyl carnitine C25H41NO4 0 53477835 UQCYGYDOQKYSDD-DDSNQYNFSA-N HMDB06463 02/07/2014 Fatty acid oxidation strl Sterol C17H28O 0 19/09/2018 strn Styrene C8H8 0 19/09/2018 Xenobiotics metabolism strncg Styrene cis-glycol C8H10O2 0 19/09/2018 Xenobiotics metabolism strno Styrene oxide C8H8O 0 19/09/2018 Xenobiotics metabolism strptm Streptomycin C21H42N7O12 C21H42N7O12 3 19/09/2018 Xenobiotics metabolism strptm6p Streptomycin 6-phosphate C21H41N7O15P C21H42N7O15P 2 19/09/2018 Xenobiotics metabolism sttca1 Stearoyllipoteichoic acid (n=24), linked, unsubstituted C123H240O135P24 -24 02/07/2014 Cell wall biosynthesis sttcaacgam Stearoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine C315H552N24O255P24 -24 02/07/2014 Cell wall biosynthesis sttcaala_D Stearoyllipoteichoic acid (n=24), linked, D-alanine substituted X C195H336N24O135P24 0 30/09/2014 Cell wall biosynthesis sttcaglc Stearoyllipoteichoic acid (n=24), linked, glucose substituted X C267H480O255P24 -24 30/09/2014 Cell wall biosynthesis stys Stachyose C24H42O21 0 HMDB03553 02/07/2014 Fructose and mannose metabolism subeac suberic acid C8H12O4 -2 C08278 10457 9300 TYFQFVWCELRYAO-UHFFFAOYSA-L HMDB00893 02/07/2014 Fatty acid oxidation subgly Suberyl-Glycine C10H15NO5 -2 HXATVKDSYDWTCX-UHFFFAOYSA-L 03/01/2017 Glycine, serine, alanine, and threonine metabolism suc6p Sucrose 6-phosphate C12H21O14P -2 02/07/2014 Histone phosphorylation sucacetat Succinyl-Acetoacetate C8H8O6 -2 OMFWHSRZHVVVAL-UHFFFAOYSA-L 03/01/2017 Tyrosine metabolism sucaceto Succinylacetone C7H9O4 -1 WYEPBHZLDUPIOD-UHFFFAOYSA-M 03/01/2017 Tyrosine metabolism sucarg N2-Succinyl-L-arginine C10H17N4O5 -1 02/07/2014 Arginine and proline metabolism sucbz o-Succinylbenzoate C11H8O5 -2 02/07/2014 Ubiquinone and other terpenoid-quinone biosynthesis succ Succinate C4H4O4 -2 C00042 1110 15741 KDYFGRWQOYBRFD-UHFFFAOYSA-L HMDB00254 02/07/2014 Arginine and proline metabolism succitr_L N-succinyl-L-citrulline C10H16N3O6 -1 02/07/2014 Arginine and proline metabolism succoa Succinyl-CoA C25H35N7O19P3S -5 C00091 439161 57292 VNOYUJKHFWYWIR-RJPVGMBJSA-I HMDB01022 02/07/2014 Arginine and proline metabolism sucglu N2-Succinyl-L-glutamate C9H10NO7 -3 02/07/2014 Arginine and proline metabolism sucgsa N2-Succinyl-L-glutamate 5-semialdehyde C9H11NO6 -2 HMDB01180 02/07/2014 Arginine and proline metabolism suchms O-Succinyl-L-homoserine C8H12NO6 -1 02/07/2014 Methionine and cysteine metabolism sucorn N2-Succinyl-L-ornithine C9H15N2O5 -1 HMDB01199 02/07/2014 Arginine and proline metabolism sucr Sucrose C12H22O11 0 C00089 5988 17992 CZMRCDWAGMRECN-UGDNZRGBSA-N HMDB00258 02/07/2014 Fructose and mannose metabolism sucsal Succinic semialdehyde C4H5O3 -1 C00232 1112 16265 UIUJIQZEACWQSV-UHFFFAOYSA-M HMDB01259 02/07/2014 Butanoate metabolism sulfac sulfoacetate C2H2O5S -2 02/07/2014 Respiration sulfp Sulfapyridine C11H11N3O2S C11H11N3O2S 0 D02434 01/03/2019 Drug metabolism sulpacmp sulphate-conjugate-acetaminophen C8H9NO5S C8H8NO5S -1 02/07/2014 Drug metabolism sxnthn Spirilloxanthin C42H60O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism T_antigen T antigen (core 1) C14H24NO10X 0 C04750 22783 02/07/2014 Mucin O-glycan biosynthesis t12dhb12d trans-1,2-Dihydrobenzene-1,2-diol C6H8O2 0 19/09/2018 Xenobiotics metabolism t2chdlac trans-2-Chlorodienelactone C6H2O4Cl -1 19/09/2018 Xenobiotics metabolism t2m26dcoa trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA C31H46N7O17P3S -4 C11945 53477851 MPYXOYHSKAAPLW-AVJOVGNRSA-J HMDB06530 02/07/2014 Limonene and pinene degradation t2miphd trans-2-Methyl-5-isopropylhexa-2,5-dienal C10H16O 0 19/09/2018 Limonene and pinene degradation t2miphdnt trans-2-Methyl-5-isopropylhexa-2,5-dienoic acid C10H15O2 -1 19/09/2018 Limonene and pinene degradation t3c11vaceACP trans-3-cis-11-vacceoyl-[acyl-carrier protein] C29H51N2O8PRS -1 02/07/2014 Fatty acid synthesis t3c5ddeceACP trans-3-cis-5-dodecenoyl-[acyl-carrier protein] C23H39N2O8PRS -1 02/07/2014 Fatty acid synthesis t3c7mrseACP trans-3-cis-7-myristoleoyl-[acyl-carrier protein] C25H43N2O8PRS -1 02/07/2014 Fatty acid synthesis t3c9palmeACP trans-3-cis-9-palmitoleoyl-[acyl-carrier protein] C27H47N2O8PRS -1 02/07/2014 Fatty acid synthesis t3caclt trans-3-Chloroacrylic acid C3H2O2Cl -1 19/09/2018 Xenobiotics metabolism t3claaldh trans-3-Chloroallyl aldehyde C3H3OCl 0 19/09/2018 Xenobiotics metabolism t3clpol trans-3-Chloro-2-propene-1-ol C3H5OCl 0 19/09/2018 Xenobiotics metabolism t3hasp threo-3-Hydroxy-L-aspartate C4H5NO5 C4H6NO5 -1 19/09/2018 Alanine and aspartate metabolism t4cmbol trans-4-Carboxymethylenebut-2-en-4-olide C6H3O4 -1 19/09/2018 Chlorocyclohexane and chlorobenzene degradation T4hcinnm trans-4-coumarate C9H7O3 -1 C00811 637542 32374 NGSWKAQJJWESNS-ZZXKWVIFSA-M HMDB02035 02/07/2014 Benzoate degradation tab 1,2,4-Triaminobenzene C6H9N3 C6H9N3 0 69206 01/03/2019 Drug metabolism tacr Tacrolimus C44H69NO12 C44H69NO12 0 DG00439 6473866 QJJXYPPXXYFBGM-LFZNUXCKSA-N HMDB15002 02/07/2014 Drug metabolism tact Triacetate C6H7O4 C6H7O4 -1 19/09/2018 Xenobiotics metabolism tag_D D-Tagatose C6H12O6 0 02/07/2014 tag_hs triglyceride C3H5FULLRCO2FULLR2CO2FULLR3CO2 0 17855 HBOQXIRUPVQLKX-BBWANDEASA-N 02/07/2014 Glycerophospholipid metabolism tag1p_D D-Tagatose 1-phosphate C6H11O9P -2 6101730 ZKLLSNQJRLJIGT-LFRDXLMFSA-L HMDB06328 02/07/2014 Galactose metabolism tag6p_D D-Tagatose 6-phosphate C6H11O9P -2 HMDB06873 02/07/2014 Aminosugar metabolism tagat_D D-tagatose C6H12O6 0 C00795 92092 47693 LKDRXBCSQODPBY-JMSAOHGTSA-N HMDB03418 02/07/2014 Galactose metabolism tagdp_D D-Tagatose 1,6-biphosphate C6H10O12P2 -4 02/07/2014 Fructose and mannose metabolism tagur D-Tagaturonate C6H9O7 -1 HMDB0011731 02/07/2014 Pentose and glucuronate interconversions talctn Triacetate lactone C6H5O3 -1 19/09/2018 Xenobiotics metabolism tamocta tetra-methyl octacosanoate C32H63O2 -1 12/11/2020 Cell wall biosynthesis tartr_D D-tartrate C4H4O6 0 02/07/2014 tartr_L L-tartrate C4H4O6 -2 02/07/2014 Glyoxylate and dicarboxylate metabolism tartr_M meso-Tartrate C4H6O6 C4H4O6 -2 02/07/2014 Glyoxylate and dicarboxylate metabolism tat N-(2-Methyl-3-Chlorophenyl)-Anthranilic Acid C20H20ClNO8 C20H19ClNO8 -1 01/03/2019 Drug metabolism taur Taurine C2H7NO3S 0 C00245 1123 15891 XOAAWQZATWQOTB-UHFFFAOYSA-N HMDB00251 02/07/2014 Bile acid metabolism tauribup_S taurine conjugate of S-ibuprofen C15H23NO4S C15H22NO4S -1 02/07/2014 Drug metabolism taxfol Taxifolin C15H12O7 C15H12O7 0 C01617 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism taxol paclitaxel C47H31NO14 0 C07394 36314 45863 RCINICONZNJXQF-MZXODVADSA-N HMDB0015360 02/07/2014 Cytochrome metabolism tca3s Taurocholic acid 3-sulfate C26H44NO10S2 -1 03/01/2017 Bile acid synthesis tcam minor teichoic acid (acetylgalactosamine glucose phosphate, n=30) X X 0 30/09/2014 Cell wall biosynthesis tcb Tricarballylate C6H8O6 C6H5O6 -3 C19806 14925 5969 KQTIIICEAUMSDG-UHFFFAOYSA-N OC(=O)CC(CC(O)=O)C(O)=O HMDB0031193 02/07/2014 Others tcdca3s Taurochenodeoxycholic acid 3-sulfate C26H44NO9S2 -1 03/01/2017 Bile acid synthesis tchola taurocholate C26H45NO7S 0 C05122 440567 28865 WBWWGRHZICKQGZ-DFXZFZLWSA-N HMDB00036 02/07/2014 Bile acid metabolism tclbnzna Trichlorobenzene A C6H3Cl3 0 19/09/2018 Xenobiotics metabolism tclccmcnt 2,3,5-Trichloro-cis,cis-muconate C6HO4Cl3 -2 19/09/2018 Benzoate degradation tclcdhchd 3,4,6-Trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene C6H5O2Cl3 0 19/09/2018 Xenobiotics metabolism tclctcl 3,4,6-Trichlorocatechol C6H3O2Cl3 0 19/09/2018 Benzoate degradation tcmn Taurocyamine C3H9N3O3S 0 19/09/2018 Taurine and hypotaurine metabolism tcrvl (4S,6R)-trans-Carveol C10H16O 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism tctrl trans-Citral C10H16O 0 19/09/2018 Geraniol degradation tcynt thiocyanate CNS -1 C01755 9322 29200 ZMZDMBWJUHKJPS-UHFFFAOYSA-M HMDB01453 02/07/2014 Methionine and cysteine metabolism td2coa trans-Tetradec-2-enoyl-CoA C35H56N7O17P3S -4 02/07/2014 Fatty acid synthesis td2glutrcoa Trans-Delta-2-Glutaryl Coenzyme A C26H35N7O19P3S -5 URTLOTISFJPPOU-HWKANZROSA-I 03/01/2017 Lysine metabolism td5a13ad Taxa-4(20),11(12)-dien-5alpha,13alpha-diol C20H32O2 0 19/09/2018 Xenobiotics metabolism td5aol Taxa-4(20),11(12)-dien-5alpha-ol C20H32O 0 19/09/2018 Xenobiotics metabolism tdca3s Taurodeoxycholic acid 3-sulfate C26H43NO9S2 -2 03/01/2017 Bile acid synthesis tdchola taurochenodeoxycholate C26H45NO6S 0 C05465 387316 16525 BHTRKEVKTKCXOH-QPRHXUMOSA-N HMDB00951 02/07/2014 Bile acid metabolism tdcoa Tetradecanoyl-CoA (n-C14:0CoA) C35H58N7O17P3S -4 C02593 65113 57385 DUAFKXOFBZQTQE-IXZUJZTPSA-J HMDB01521 02/07/2014 Cell wall biosynthesis tdcrn myristoyl carnitine C21H41NO4 0 53477791 HMDB05066 02/07/2014 tddec2eACP trans-Dodec-2-enoyl-[acyl-carrier protein] C23H41N2O8PRS -1 02/07/2014 Fatty acid synthesis tddedi2coa trans2,6dodecadienoylcoa C33H50N7O17P3S -4 BNPQDIKRZDRREL-ASTVXOCUSA-J 02/07/2014 Fatty acid oxidation tddedicoa trans3,6dodecadienoylcoa C33H50N7O17P3S -4 C05280 5280771 28002 KEPSPLQXVPROMK-ASJCJLDXSA-J HMDB03952 02/07/2014 Fatty acid oxidation tdeACP cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) C25H45N2O8PRS -1 02/07/2014 Fatty acid oxidation tdec2eACP trans-Dec-2-enoyl-[acyl-carrier protein] C21H37N2O8PRS -1 02/07/2014 Fatty acid synthesis tdec4ecoa trans4decenoylcoa C31H48N7O17P3S -4 QTOYQSMKQWCWOX-SGUJYKCESA-J 02/07/2014 Fatty acid oxidation tdechola Taurodeoxycholic acid C26H44NO6S -1 C05463 2733768 9410 AWDRATDZQPNJFN-VAYUFCLWSA-M HMDB00896 02/07/2014 Bile acid metabolism tdecoa Tetradecenoyl-CoA (n-C14:1CoA) C35H56N7O17P3S -4 02/07/2014 Fatty acid oxidation teich_45_BS teichuronic acid (GlcA + GalNac, 45 repeating unit) X X 0 30/09/2014 Cell wall biosynthesis Temp001 Biomass X 0 03/01/2017 tet Tetrathionate O6S4 -2 02/07/2014 Respiration tetd7ecoa 7-tetradecenoylcoa C35H56N7O17P3S -4 JPIHVKICKVPFFY-TWAFKMGKSA-J 02/07/2014 Fatty acid oxidation tetde5coa 5-tetradecenoylcoa C35H56N7O17P3S -4 MRVDZOHJMLTLHJ-QSGBVPJFSA-J 02/07/2014 Fatty acid oxidation tetdec2coa tetradecadienoylcoa C35H54N7O17P3S -4 02/07/2014 Fatty acid oxidation tetdec2crn tetradecadienoyl carnitine C21H37NO4 0 IXOHTRSFILEKHO-FSALDASDSA-N 02/07/2014 Fatty acid oxidation tetdeca511ac Cia-5,8, Tetradecadienoic Acid C14H23O2 -1 HXHZGHRLVRFQDR-AVQMFFATSA-M 03/01/2017 Fatty acid oxidation tetdecaeth C14:0-Ethanolamide, Tetradecanoyl Ethanolamide C16H33NO2 0 JHIXEZNTXMFXEK-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism tetdecdicoa 5,8-tetradecadienoylcoa C35H54N7O17P3S -4 21252281 MJBZUCVXTFUVFY-MURFETPASA-J HMDB02288 02/07/2014 Fatty acid oxidation tetdece1coa tetradecenoylcoa C35H56N7O17P3S -4 C05273 5280767 MBCVYCOKMMMWLX-IKUURZALSA-N HMDB03946 02/07/2014 Fatty acid oxidation tetdece1crn tetradecenoyl carnitine C21H39NO4 0 22833575 NNCBVXBBLABOCB-SEYXRHQNSA-N HMDB02014 02/07/2014 Fatty acid oxidation tethex3 tetracosahexaenoic acid, n-3 C24H35O2 -1 53481586 YHGJECVSSKXFCJ-PCZFSEFKSA-M HMDB0013025 02/07/2014 Fatty acid oxidation tethex3coa tetracosahexaenoyl coenzyme A C45H66N7O17P3S -4 C16168 53477806 KRIFZIRXAAITHR-KWFBMMABSA-J HMDB06243 02/07/2014 Fatty acid oxidation tethptdn Tetrahydroxypteridine C6H4N4O4 C6H4N4O4 0 C03178 01/07/2019 Others tetpent3 tetracosapentaenoic acid, n-3 C24H37O2 -1 52921801 NPTIBOCVSPURCS-JLNKQSITSA-M HMDB06323 02/07/2014 Fatty acid synthesis tetpent3coa tetracosapentaenoyl coenzyme A, n-3 C45H68N7O17P3S -4 C16167 23724644 BNAMTMVBOVNNSH-IXEGOOPNSA-J 02/07/2014 Fatty acid oxidation tetpent3crn tetracosapentaenoyl carnitine C31H51NO4 0 AQYQJMYFFSCGBI-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation tetpent6 tetracosapentaenoic acid, n-6 C24H37O2 -1 14505435 VENRYLMOFDSSDJ-RIOSQWMDSA-M HMDB06322 02/07/2014 Fatty acid oxidation tetpent6coa tetracosapentaenoyl coenzyme A, n-6 C45H68N7O17P3S -4 C16172 23724649 XZYNVQDKYRHKFG-QOJZHLSOSA-J HMDB0060225 02/07/2014 Fatty acid oxidation tetpent6crn tetracosapentaenoyl carnitine C31H51NO4 0 STKKPHPBAFXMLG-UHFFFAOYSA-N 02/07/2014 Fatty acid oxidation tettet6 tetracosatetraenoic acid n-6 C24H39O2 -1 152972 RZHACVKGHNMWOP-ZWZRQGCWSA-M HMDB06246 02/07/2014 Fatty acid synthesis tettet6coa tetracosatetraenoyl coenzyme A C45H70N7O17P3S -4 C16171 53477846 OKOXEYTYHDPTEW-NWVLGCTBSA-J HMDB06516 02/07/2014 Fatty acid oxidation tettet6crn Tetracosatetraenoyl carnitine C31H53NO4 0 OVCKQONNZPULLZ-LJAQVGFWSA-N 02/07/2014 Fatty acid oxidation tfltn Trifolitin C15H10O6 0 19/09/2018 Isoquinoline alkaloid biosynthesis tgnlcoa trans-Geranyl-CoA C31H47N7O17P3S -3 19/09/2018 Terpenoid backbone biosynthesis tgz Troglitazone C24H27NO5S C24H26NO5S -1 5591 01/03/2019 Drug metabolism tgz_glc Troglitazone Glucuronide C30H35NO11S C30H33NO11S -2 15670672 01/03/2019 Drug metabolism thberbn (S)-Tetrahydroberberine C20H21NO4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism thbpt 5,6,7,8-tetrahydrobiopterin C9H15N5O3 0 C00272 1125 15372 FNKQXYHWGSIFBK-UHFFFAOYSA-N HMDB00027 02/07/2014 Phenylalanine metabolism thbpt4acam 4a-hydroxytetrahydrobiopterin C9H15N5O4 0 C15522 129803 15374 KJKIEFUPAPPGBC-UHFFFAOYSA-N HMDB02281 02/07/2014 Phenylalanine metabolism thcholoylcoa 3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA C48H76N7O20P3S -4 C05448 15942872 27403 SZBMUAIJWNJARR-LUAYSRQUSA-J HMDB02178 02/07/2014 Bile acid synthesis thcholst 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al C27H46O4 0 C01301 439479 16466 USFJGINJGUIFSY-XZULNKEGSA-N HMDB03533 02/07/2014 Bile acid synthesis thcholstoic 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoate C27H45O5 -1 C04722 23657849 48043 CNWPIIOQKZNXBB-WBYPBBSPSA-M HMDB03873 02/07/2014 Bile acid synthesis thcn4og 2,4,4,6-Tetrahydroxychalcone 4-O-glucoside C21H22O10 0 19/09/2018 Xenobiotics metabolism thcrm_hs trihexosyl ceramide C36H66NO17FULLRCO 0 C04737 53477785 HJVQASFQICDJJP-GJXDXCKOSA-N HMDB04877 02/07/2014 Sphingolipid metabolism thcys 3-disulfanyl-L-alanine C3H7NO2S2 0 C01962 439614 28839 XBKONSCREBSMCS-REOHCLBHSA-N HMDB03585 02/07/2014 Methionine and cysteine metabolism thdp 2,3,4,5-Tetrahydrodipicolinate C7H7NO4 -2 HMDB0012289 02/07/2014 Glycerophospholipid metabolism thdphee 2,2,3-Trihydroxydiphenylether C12H9O4 -1 19/09/2018 Xenobiotics metabolism thex2eACP trans-Hex-2-enoyl-[acyl-carrier protein] C17H29N2O8PRS -1 02/07/2014 Fatty acid synthesis thexaecoa (2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexa-2,6,9,12,15,18-enoyl-CoA C45H66N7O17P3S -4 C16387 01/07/2019 Fatty acid metabolism thexdd 7Z,10Z-Hexadecadienoic Acid C16H27O2 -1 WPJGPAAPSBVXNU-HZJYTTRNSA-M 03/01/2017 Fatty acid oxidation thexddcoa trans7,10-hexadecadienoylcoa C37H58N7O17P3S -4 OKKMIEAMIHILAM-BBQXBXLMSA-J 02/07/2014 Fatty acid oxidation thf 5,6,7,8-Tetrahydrofolate C19H21N7O6 -2 C00101 91443 20506 MSTNYGQPCMXVAQ-UHFFFAOYSA-L HMDB01846 02/07/2014 CoA synthesis thfglu Tetrahydrofolyl-[Glu](2) C24H27N8O9 -3 HMDB06825 02/07/2014 Folate metabolism thglu Tetrahydropteroyltri_L_glutamate C24H32N8O12 0 02/07/2014 Methionine and cysteine metabolism thiflvn 2,7,4-Trihydroxyisoflavanone C15H12O5 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism this [ThiS protein] RCO2H RCO2 -1 C15810 12/07/2018 Thiamine metabolism thissh Thiocarboxy-[ThiS protein] RCOSH RCOS -1 C15814 12/07/2018 Thiamine metabolism thm Thiamin C12H17N4OS 1 C00378 1130 18385 JZRWCGZRTZMZEH-UHFFFAOYSA-N HMDB00235 02/07/2014 Thiamine metabolism thmmp Thiamin monophosphate C12H16N4O4PS -1 C01081 3382778 37574 HZSAJDVWZRBGIF-UHFFFAOYSA-M HMDB02666 02/07/2014 Thiamine metabolism thmmthn Trihomomethionine C8H17NO2S 0 19/09/2018 Glucosinolate biosynthesis thmpp Thiamine diphosphate C12H16N4O7P2S -2 C00068 1132 9532 AYEKOFBPNLCAJY-UHFFFAOYSA-L HMDB01372 02/07/2014 Citric acid cycle thmtp thiamine(1+) triphosphate(4-) C12H16N4O10P3S -3 C03028 511 9534 IWLROWZYZPNOFC-UHFFFAOYSA-K HMDB01512 02/07/2014 Thiamine metabolism thnpthn 1,3,8-Trihydroxynaphthalene C10H8O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism thp2c 1-piperideine-6-carboxylate C6H8NO2 -1 165067 49015 CSDPVAKVEWETFG-UHFFFAOYSA-M HMDB0012130 02/07/2014 Lysine metabolism thpmtn Tetrahydropalmatine C21H25NO4 0 19/09/2018 Isoquinoline alkaloid biosynthesis thr_L L-threonine C4H9NO3 0 C00188 6288 16857 AYFVYJQAPQTCCC-GBXIJSLDSA-N HMDB00167 02/07/2014 Glycine, serine, alanine, and threonine metabolism thrargtyr Threonyl-Arginyl-Tyrosine C19H31N6O6 1 UNURFMVMXLENAZ-PUPMMZHASA-O 03/01/2017 Peptide metabolism thrasntyr Threonyl-Asparaginyl-Tyrosine C17H24N4O7 0 JVTHIXKSVYEWNI-PRAYIBQGSA-N 03/01/2017 Peptide metabolism thrfvs threo-isomer of fluvastain C24H25FNNaO4 C24H25FNNaO4 0 02/07/2014 Drug metabolism thrglnglu Threonyl-Glutaminyl-Glutamate C14H23N4O8 -1 VUVCRYXYUUPGSB-PJFCORBGSA-M 03/01/2017 Peptide metabolism thrglntyr Threonyl-Glutaminyl-Tyrosine C18H26N4O7 0 RCEHMXVEMNXRIW-AETLKFDBSA-N 03/01/2017 Peptide metabolism thrhishis Threonyl-Histidinyl-Histidine C16H23N7O5 0 XSTGOZBBXFKGHA-MHNYQROPSA-N 03/01/2017 Peptide metabolism thrilearg Threonyl-Isoleucyl-Arginine C16H33N6O5 1 WPAKPLPGQNUXGN-HHLGRRPGSA-O 03/01/2017 Peptide metabolism thrmetarg Threonyl-Methionyl-Arginine C15H31N6O5S 1 OHDXOXIZXSFCDN-VLEAKVRGSA-O 03/01/2017 Peptide metabolism thrnt L-threonate C4H7O5 -1 C01620 151152 15908 JPIJQSOTBSSVTP-STHAYSLISA-M HMDB00943 02/07/2014 Vitamin C metabolism thrp L-Threonine O-3-phosphate C4H8NO6P -2 HMDB0011185 02/07/2014 Glycine, serine, alanine, and threonine metabolism thrphearg Threonyl-Phenylalanyl-Arginine C19H31N6O5 1 WRQLCVIALDUQEQ-MHEUCROKSA-O 03/01/2017 Peptide metabolism thrserarg Threonyl-Seryl-Arginine C13H27N6O6 1 PRTHQBSMXILLPC-MAUMQABQSA-O 03/01/2017 Peptide metabolism thrthrarg Threonyl-Threonyl-Arginine C14H29N6O6 1 QYDKSNXSBXZPFK-BQHMLIOBSA-O 03/01/2017 Peptide metabolism thrtrna L-Threonyl-tRNA(Thr) C4H8NO2R 1 02/07/2014 tRNA Charging thrtyrmet Threonyl-Tyrosyl-Methionine C18H27N3O6S 0 VMSSYINFMOFLJM-HPEDKQMDSA-N 03/01/2017 Peptide metabolism thsacmp thiomethyl-sulphoxide-conjugate-acetaminophen C9H11NO3S C9H11NO3S 0 02/07/2014 Drug metabolism thside Trihexosylceramide C37H66NO18R 0 12/11/2020 Cell wall biosynthesis thsxnthn 3,4,3,4-Tetrahydrospirilloxanthin C42H64O2 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism thxbiphe 2,2,3-Trihydroxybiphenyl C12H10O3 0 19/09/2018 Xenobiotics metabolism thym Thymine C5H6N2O2 0 C00178 1135 17821 RWQNBRDOKXIBIV-UHFFFAOYSA-N HMDB00262 02/07/2014 Pyrimidine catabolism thymd Thymidine C10H14N2O5 0 C00214 5789 17748 IQFYYKKMVGJFEH-XLPZGREQSA-N HMDB00273 02/07/2014 Nucleotide interconversion thyochol Taurohyocholic acid; N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine C26H44NO7S -1 C15516 17396508 52022 XSOLDPYUICCHJX-DMWZFLOVSA-N HMDB0011637 03/01/2017 Bile acid synthesis thyox_L L-thyroxine C15H11I4NO4 0 C01829 5819 18332 XUIIKFGFIJCVMT-LBPRGKRZSA-N HMDB00248 02/07/2014 Tyrosine metabolism ticit_D D-threo-Isocitric acid C6H8O7 C6H5O7 -3 C00451 01/07/2019 Citric acid cycle tiggly Tiglyl Glycine C7H10NO3 -1 WRUSVQOKJIDBLP-HWKANZROSA-M 03/01/2017 Glycine, serine, alanine, and threonine metabolism tlacfvs trans-lactone-fluvastatin C24H23FNNaO3 C24H23FNNaO3 0 02/07/2014 Drug metabolism tlf_a Tolfenamic Acid C14H12ClNO2 C14H11ClNO2 -1 610479 01/03/2019 Drug metabolism tlf_a_1a Tolfenamic Acid 1A C14H12ClNO3 C14H11ClNO3 -1 01/03/2019 Drug metabolism tlf_a_1b Tolfenamic Acid 1B C14H12ClNO3 C14H11ClNO3 -1 01/03/2019 Drug metabolism tlf_a_1x Tolfenamic Acid 1X C15H14ClNO3 C15H13ClNO3 -1 01/03/2019 Drug metabolism tlf_a_2 Tolfenamic Acid 2 C14H12ClNO3 C14H11ClNO3 -1 01/03/2019 Drug metabolism tlf_a_2a Tolfenamic Acid 2A C14H12ClNO4 C14H11ClNO4 -1 01/03/2019 Drug metabolism tlf_a_3 Tolfenamic Acid 3 C14H10ClNO3 C14H9ClNO3 -1 01/03/2019 Drug metabolism tlf_a_4 Tolfenamic Acid 4 C14H10ClNO4 C14H8ClNO4 -2 01/03/2019 Drug metabolism tlf_a_m1 N-(2-Hydroxymethyl-3-Chlorophenyl)-Anthranilic Acid C20H20ClNO9 C20H19ClNO9 -1 01/03/2019 Drug metabolism tlf_a_m2 N-(2-Hydroxymethyl-3-Chloro-4-Hydroxyphenyl)-Anthranilic Acid C20H20ClNO10 C20H19ClNO10 -1 01/03/2019 Drug metabolism tlf_a_m3 N-(2-Formyl-3-Chlorophenyl) Anthranilic Acid C20H18ClNO9 C20H17ClNO9 -1 01/03/2019 Drug metabolism tlf_a_m4 N-(2-Methyl-3- Chloro-4-Hydroxyphenyl)-Anthranilic Acid C20H20ClNO9 C20H19ClNO9 -1 01/03/2019 Drug metabolism tlf_a_m4a Tolfenamic Acid M4A C20H20ClNO9 C20H19ClNO9 -1 01/03/2019 Drug metabolism tlf_a_m5 N-(2-Methyl-3-Chloro-5-Hydroxyphenyl)-Anthranilic Acid C20H20ClNO9 C20H19ClNO9 -1 01/03/2019 Drug metabolism tlf_a_m5a Tolfenamic Acid M5A C20H20ClNO9 C20H18ClNO9 -2 01/03/2019 Drug metabolism tlf_a_m5b Tolfenamic Acid M5B C26H28ClNO15 C26H26ClNO15 -2 01/03/2019 Drug metabolism tlf_a_m6 N-(2-Carboxy-3-Chlorophenyl)-Anthranilic Acid C20H18ClNO10 C20H16ClNO10 -2 01/03/2019 Drug metabolism tlf_a_m9 N-(2-Methyl-3-Chloro-4-Metoxyphenyl)-Anthranilic Acid C21H22ClNO9 C21H21ClNO9 -1 01/03/2019 Drug metabolism tlhpro trans-L-3-Hydroxyproline C5H8NO3 -1 19/09/2018 Arginine and proline metabolism tlms Telmisartan C33H30N4O2 C33H29N4O2 -1 C07710 65999 01/03/2019 Drug metabolism tlms_glc Telmisartan Glucuronide C39H38N4O8 C39H37N4O8 -1 126968877 01/03/2019 Drug metabolism tln Toluene C7H8 0 19/09/2018 Xenobiotics metabolism tln4s Toluene-4-sulfonate C7H7O3S -1 19/09/2018 Xenobiotics metabolism tlt Toluate C8H7O2 -1 19/09/2018 Benzoate degradation tma trimethylamine C3H10N 1 C00565 1146 HMDB00906 02/07/2014 Others tmacmp thiomethyl-conjugate-acetaminophen C9H11NO2S C9H11NO2S 0 02/07/2014 Drug metabolism tmao Trimethylamine N-oxide C3H9NO 0 C01104 1145 HMDB00925 02/07/2014 Primary amine metabolism tmd Torasemide C16H20N4O3S C16H19N4O3S -1 D00382 41781 NGBFQHCMQULJNZ-UHFFFAOYSA-N HMDB0014359 02/07/2014 Drug metabolism tmdm1 Torasemide-M1 C16H20N4O4S C16H19N4O4S -1 02/07/2014 Drug metabolism tmdm3 Torasemide-M3 C16H20N4O4S C16H19N4O4S -1 02/07/2014 Drug metabolism tmdm5 Torasemide-M5 C16H18N4O5S C16H16N4O5S -2 02/07/2014 Drug metabolism tmhexc tri-methyl hexacosanoate C29H57O2 -1 12/11/2020 Fatty acid synthesis tmln3c Thiomorpholine 3-carboxylate C5H8NO2S -1 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism tmlys N6,N6,N6-Trimethyl-L-lysine C9H20N2O2 0 C03793 440120 17311 MXNRLFUSFKVQSK-QMMMGPOBSA-N HMDB01325 02/07/2014 Lysine metabolism tmndnc timnodonic acid C20:5, n-3 C20H29O2 -1 C06428 446284 28364 JAZBEHYOTPTENJ-JLNKQSITSA-M HMDB01999 02/07/2014 Cholesterol metabolism tmndnccoa timnodonyl coenzyme A C41H60N7O17P3S -4 C16165 56927904 JWZLRYCDDXHXDL-BCYDWBPESA-J HMDB0060311 02/07/2014 Fatty acid oxidation tmndnccrn Timnodonyl carnitine C27H43NO4 0 USUPQTJPNBGUSJ-OYKLNVEQSA-N 02/07/2014 Fatty acid oxidation tmphp Trimetaphosphate O9P3 -3 19/09/2018 Others tmrs2eACP trans-Tetradec-2-enoyl-[acyl-carrier protein] C25H45N2O8PRS -1 02/07/2014 Fatty acid synthesis tmtrdcoa 4,8,12-trimethyl tridecanoylcoa C37H62N7O17P3S -4 C07296 11966114 ZYUOZFCHODHLHG-LEJRVOBCSA-J HMDB0060167 02/07/2014 Fatty acid oxidation tmuncoa 2,6,10-trimethyl undecanoylcoa C35H58N7O17P3S -4 QCNISQOYPUIJJO-OOHGGQFJSA-J 02/07/2014 Fatty acid oxidation tmxfn Tamoxifen C26H30NO 1 19/09/2018 Xenobiotics metabolism tmxfno Tamoxifen N-oxide C26H29NO2 0 19/09/2018 Xenobiotics metabolism Tn_antigen Tn antigen C8H14NO5X 0 G00023 REDMNGDGDYFZRE-UHFFFAOYSA-N 02/07/2014 Keratan sulfate degradation to3 tellurite X -2 02/07/2014 toct2eACP trans-Oct-2-enoyl-[acyl-carrier protein] C19H33N2O8PRS -1 02/07/2014 Fatty acid synthesis toctd2eACP trans-octadec-2-enoyl-[acyl-carrier protein] C29H53N2O8PRS -1 02/07/2014 Fatty acid synthesis tod2eacp trans-Octodec-2-enoyl-ACP X X 0 30/09/2014 tohbnpyr trans-O-Hydroxybenzylidenepyruvate C10H7O4 -1 19/09/2018 Naphthalene degradation tolbutamide tolbutamide C12H18N2O3S 0 C07148 5505 27999 JLRGJRBPOGGCBT-UHFFFAOYSA-N HMDB0015256 02/07/2014 Cytochrome metabolism tolcp Tolcapone  C14H11NO5 C14H10NO5 -1 C07949 4659569 01/03/2019 Drug metabolism tolcp_ac Tolcapone N-Acetyl Amino Metabolite C16H15NO4 C16H14NO4 -1 01/03/2019 Drug metabolism tolcp_ac_glc Tolcapone N-Acetyl Amino Glucuronide C22H23NO10 C22H21NO10 -2 01/03/2019 Drug metabolism tolcp_am Tolcapone Amine Derivative C14H13NO3 C14H12NO3 -1 01/03/2019 Drug metabolism tolcp_am_glc Tolcapone Amine Glucuronide C20H21NO9 C20H19NO9 -2 01/03/2019 Drug metabolism tolcp_glc Tolcapone 3-Beta-D-Glucuronide C20H19NO11 C20H17NO11 -2 46783102 01/03/2019 Drug metabolism tpalm2eACP trans-Hexadec-2-enoyl-[acyl-carrier protein] C27H49N2O8PRS -1 02/07/2014 Fatty acid synthesis tpno_1glc_4g Tempol 1-O-Glucuronide And 4-O-Glucoside C21H37NO13 C21H37NO13 0 01/03/2019 Drug metabolism tpno_4g Tempol 4-O-Glucoside C15H29NO7 C15H29NO7 0 01/03/2019 Drug metabolism tpno_4glc Tempol 4-O-Glucuronide C15H27NO8 C15H27NO8 0 01/03/2019 Drug metabolism tpnoh Tempol Hydroxylamine C9H19NO2 C9H19NO2 0 01/03/2019 Drug metabolism tprdpcoa 2-(5-triphosphoribosyl)-3-dephospho-CoA C26H41N7O26P5S -5 19/09/2018 Others tptnds Trypanothione disulfide C27H48N9O10S2 1 19/09/2018 Glutathione metabolism trdox Oxidized thioredoxin X 0 C00343 18191 02/07/2014 Glycine, serine, alanine, and threonine metabolism trdrd Reduced thioredoxin XH2 0 C00342 15967 02/07/2014 Glycine, serine, alanine, and threonine metabolism tre Trehalose C12H22O11 0 C01083 7427 16551 HDTRYLNUVZCQOY-LIZSDCNHSA-N HMDB00975 02/07/2014 Histone phosphorylation tre6p alpha,alpha-Trehalose 6-phosphate C12H21O14P -2 02/07/2014 Histone phosphorylation tridcoa tridecanoylcoa C34H56N7O17P3S -4 53481606 TZKUYUHMJHEXOQ-XILBVEEWSA-J HMDB13109 02/07/2014 Fatty acid oxidation trideceth Tridecanoyl Thanolamide (C13:0) C15H31NO2 0 QIGYRHZXILJBGB-UHFFFAOYSA-N 03/01/2017 Glycerophospholipid metabolism triodthy 3,3,5-triiodo-L-thyronine C15H12I3NO4 0 C02465 5920 18258 AUYYCJSJGJYCDS-LBPRGKRZSA-N HMDB00265 02/07/2014 Tyrosine metabolism triodthysuf Triiodothyronine sulfate C15H11I3NO7S -1 122196 35432 XBQYQXVJBNDCGY-LBPRGKRZSA-M HMDB03036 02/07/2014 Tyrosine metabolism tripvs triol metabolite of pravastatin C23H37NaO9 C23H37NaO9 0 02/07/2014 Drug metabolism trna tRNA(Pro) C10H12N5O3R 0 C01834 12/11/2020 trna2omgsn tRNA containing 2-O-methylguanosine C21H29N5O20P3R2 -3 19/09/2018 Miscellaneous trna3acpu tRNA 3-(3-amino-3-carboxypropyl)-uridine C23H32N3O23P3R2 -4 19/09/2018 Miscellaneous trnaala tRNA(Ala) R 0 02/07/2014 trnaarg tRNA(Arg) R 0 02/07/2014 trnaasn tRNA(Asn) C10H17O10PR2 0 02/07/2014 trnaasp tRNA(Asp) R 0 02/07/2014 trnacys tRNA(Cys) R 0 02/07/2014 trnagln tRNA(Gln) R 0 02/07/2014 trnaglu tRNA (Glu) R 0 02/07/2014 tRNA Charging trnagly tRNA(Gly) R 0 02/07/2014 tRNA Charging trnahis tRNA(His) R 0 02/07/2014 tRNA Charging trnaile tRNA(Ile) R 0 02/07/2014 tRNA Charging trnaleu tRNA(Leu) R 0 02/07/2014 tRNA Charging trnalys tRNA(Lys) R 0 02/07/2014 tRNA Charging trnamet tRNA(Met) R 0 02/07/2014 tRNA Charging trnan1mgn tRNA containing N1-methylguanine C21H29N5O20P3R2 -3 19/09/2018 Miscellaneous trnaphe tRNA(Phe) R 0 02/07/2014 tRNA Charging trnapro tRNA(Pro) R 0 02/07/2014 tRNA Charging trnasecys tRNA(SeCys) R 0 02/07/2014 tRNA Charging trnaser tRNA(Ser) R 0 02/07/2014 tRNA Charging trnathr tRNA(Thr) R 0 02/07/2014 tRNA Charging trnatpsic tRNA TpsiC C20H27N2O21P3R2" -4 12/11/2020 tRNA Charging trnatrp tRNA(Trp) R 0 02/07/2014 tRNA Charging trnatyr tRNA(Tyr) R 0 02/07/2014 tRNA Charging trnaupsic tRNA UpsiC C19H25N2O21P3R2 -4 12/11/2020 tRNA Charging trnaval tRNA(Val) R 0 02/07/2014 tRNA Charging trp_L L-tryptophan C11H12N2O2 0 C00078 6305 16828 QIVBCDIJIAJPQS-VIFPVBQESA-N HMDB00929 02/07/2014 Peptide metabolism trpalapro Tryptophanyl-Alanyl-Proline C19H24N4O4 0 VZBWRZGNEPBRDE-PJODQICGSA-N 03/01/2017 Peptide metabolism trpargala Tryptophanyl-Arginyl-Alanine C20H30N7O4 1 HOJPPPKZWFRTHJ-HZUKXOBISA-O 03/01/2017 Peptide metabolism trpaspasp Tryptophanyl-Aspartyl-Aspartate C19H20N4O8 -2 VEYXZZGMIBKXCN-YUTCNCBUSA-L 03/01/2017 Peptide metabolism trpglngln Tryptophanyl-Glutaminyl-Glutamine C21H28N6O6 0 DQDXHYIEITXNJY-IMJJTQAJSA-N 03/01/2017 Peptide metabolism trpglugly Tryptophanyl-Glutamyl-Glycine C18H21N4O6 -1 VMBBTANKMSRJSS-GXTWGEPZSA-M 03/01/2017 Peptide metabolism trpgluleu Tryptophanyl-Glutamyl-Leucine C22H29N4O6 -1 YXONONCLMLHWJX-JQHSSLGASA-M 03/01/2017 Peptide metabolism trpglupro Tryptophanyl-Glutamyl-Proline C21H25N4O6 -1 KDWZQYUTMJSYRJ-USXIJHARSA-M 03/01/2017 Peptide metabolism trpglutyr Tryptophanyl-Glutamyl-Tyrosine C25H27N4O7 -1 HXNVJPQADLRHGR-TYPHKJRUSA-M 03/01/2017 Peptide metabolism trpglyasp Tryptophanyl-Glycyl-Aspartate C17H19N4O6 -1 BEWOXKJJMBKRQL-AAEUAGOBSA-M 03/01/2017 Peptide metabolism trpglyleu Tryptophanyl-Glycyl-Leucine C19H26N4O4 0 RPVDDQYNBOVWLR-HOCLYGCPSA-N 03/01/2017 Peptide metabolism trpglyphe Tryptophanyl-Glycyl-Phenylalanine C22H24N4O4 0 NOFFAYIYPAUNRM-HKUYNNGSSA-N 03/01/2017 Peptide metabolism trpglyval Tryptophanyl-Glycyl-Valine C18H24N4O4 0 WSGPBCAGEGHKQJ-BBRMVZONSA-N 03/01/2017 Peptide metabolism trphismet Tryptophanyl-Histidyl-Methionine C22H28N6O4S 0 HJXWDGGIORSQQF-YTQUADARSA-N 03/01/2017 Peptide metabolism trpilelys Tryptophanyl-Isoleucyl-Lysine C23H36N5O4 1 ILDJYIDXESUBOE-DJGIMKDFSA-O 03/01/2017 Peptide metabolism trpiletrp Tryptophanyl-Isoleucyl-Tryptophan C28H33N5O4 0 RIOVOFZXVOWCCX-SBCJRHGPSA-N 03/01/2017 Peptide metabolism trpleuval Tryptophanyl-Leucyl-Valine C22H32N4O4 0 WMBFONUKQXGLMU-UHOSZYNNSA-N 03/01/2017 Peptide metabolism trplys Tryptophanyl-Lysine C17H25N4O3 1 DZHDVYLBNKMLMB-DZGCQCFKSA-O 03/01/2017 Peptide metabolism trpmetarg Tryptophanyl-Methionyl-Arginine C22H34N7O4S 1 SNWIAPVRCNYFNI-SZMVWBNQSA-N 03/01/2017 Peptide metabolism trpmetval Tryptophanyl-Methionyl-Valine C21H30N4O4S 0 NFVQCNMGJILYMI-JQHSSLGASA-N 03/01/2017 Peptide metabolism trpn Tropine C8H15NO 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis trpne Tropine ester C9H14NO2R 0 19/09/2018 Tropane, piperidine and pyridine alkaloid biosynthesis trpphe Tryptophanyl-Phenylalanine C20H21N3O3 0 IMMPMHKLUUZKAZ-FUHWJXTLSA-N 03/01/2017 Peptide metabolism trpprogly Tryptophanyl-Prolyl-Glycine C18H21N4O4 0 WMIUTJPFHMMUGY-ZFWWWQNUSA-N 03/01/2017 Peptide metabolism trpproleu Tryptophanyl-Prolyl-Leucine C22H30N4O4 0 XOLLWQIBBLBAHQ-WDSOQIARSA-N 03/01/2017 Peptide metabolism trpproval Tryptophanyl-Prolyl-Valine C21H28N4O4 0 JEYRCNVVYHTZMY-SZMVWBNQSA-N 03/01/2017 Peptide metabolism trpsertyr Tryptophanyl-Seryl-Tyrosine C23H26N4O6 0 ABRICLFKFRFDKS-YSIASYRMSA-N 03/01/2017 Peptide metabolism trpthrglu Tryptophanyl-Threonyl-Glutamate C20H25N4O7 -1 DTPWXZXGFAHEKL-CDUAKIRFSA-M 03/01/2017 Peptide metabolism trpthrile Tryptophanyl-Threonyl-Isoleucine C21H30N4O5 0 WBZOZLNLXVBCNW-RJSFKJTHSA-N 03/01/2017 Peptide metabolism trpthrtyr Tryptophanyl-Threonyl-Tyrosine C24H28N4O6 0 WTRQBSSQBKRNKV-AUXSQSTDSA-N 03/01/2017 Peptide metabolism trptrna L-Tryptophanyl-tRNA(Trp) C11H11N2OR 1 02/07/2014 tRNA Charging trptyrgln Tryptophanyl-Tyrosyl-Glutamine C25H29N5O6 0 PKZIWSHDJYIPRH-JBACZVJFSA-N 03/01/2017 Peptide metabolism trptyrtyr Tryptophanyl-Tyrosyl-Tyrosine C29H30N4O6 0 GDPDVIBHJDFRFD-DMDYGQEQSA-N 03/01/2017 Peptide metabolism trpvalasp Tryptophanyl-Valyl-Aspartate C20H25N4O6 -1 RKISDJMICOREEL-JLJPHGGASA-M 03/01/2017 Peptide metabolism trypta Tryptamine C10H13N2 1 C00398 1150 16765 APJYDQYYACXCRM-UHFFFAOYSA-O HMDB00303 02/07/2014 Tryptophan metabolism ts3 Tachysterol 3 C27H44O 0 C07711 5283713 YUGCAAVRZWBXEQ-WHTXLNIXSA-N HMDB06560 02/07/2014 Vitamin D metabolism tsacmgluc thiomethyl-sulphoxide-acetaminophen-glucuronide C15H19NO9S C15H18NO9S -1 02/07/2014 Drug metabolism tsacmsul thiomethyl-sulphoxide-acetaminophen-sulphate C9H11NO6S2 C9H10NO6S2 -1 02/07/2014 Drug metabolism tststerone testosterone C19H28O2 0 C00535 6013 17347 MUMGGOZAMZWBJJ-DYKIIFRCSA-N HMDB00234 02/07/2014 Steroid metabolism tststeroneglc testosterone 3-glucosiduronic acid C25H36O8 0 C11134 108192 28835 NIKZPECGCSUSBV-HMAFJQTKSA-N HMDB03193 02/07/2014 Steroid metabolism tststerones testosterone sulfate C19H27O5S -1 119207 WAQBISPOEAOCOG-DYKIIFRCSA-M HMDB02833 02/07/2014 Steroid metabolism tsul thiosulfate(2-) O3S2 -2 C00320 1084 16094 DHCDFWKWKRSZHF-UHFFFAOYSA-L HMDB00257 02/07/2014 Methionine and cysteine metabolism ttc tetracosanoate C24H48O2 C24H47O2 -1 02/07/2014 Fatty acid oxidation ttc_ggdp trans,trans,cis-Geranylgeranyl diphosphate C20H33O7P2 -3 C11356 5281909 10698 OINNEUNVOZHBOX-KWBDAJKESA-K 02/07/2014 Cholesterol metabolism ttccoa tetracosanoyl-CoA (n-C24:0CoA) C45H78N7O17P3S -4 C16529 53477849 52974 MOYMQYZWIUKGGY-YOUZJQHUSA-J HMDB06526 02/07/2014 Fatty acid oxidation ttdca tetradecanoate (n-C14:0) C14H27O2 -1 C06424 11005 28875 TUNFSRHWOTWDNC-UHFFFAOYSA-M HMDB00806 02/07/2014 Cytochrome metabolism ttdcea tetradecenoate (n-C14:1) C14H25O2 -1 C08322 68344 27781 YWWVWXASSLXJHU-WAYWQWQTSA-M HMDB02000 02/07/2014 Fatty acid oxidation ttdceacoa Tetradecenoyl Coenzyme A (N-C14:1) C35H56N7O17P3S -4 03/01/2017 Fatty acid oxidation ttdcrn tetradecanoyl carnitine C21H41NO4 0 53477791 PSHXNVGSVNEJBD-LJQANCHMSA-N HMDB05066 02/07/2014 Fatty acid oxidation ttetddcoa trans5,8tetradecadienoylcoa C35H54N7O17P3S -4 21252281 MJBZUCVXTFUVFY-MURFETPASA-J HMDB02288 02/07/2014 Fatty acid oxidation tthmthn Tetrahomomethionine C9H19NO2S 0 19/09/2018 Glucosinolate biosynthesis tthnpthn 1,3,6,8-Tetrahydroxynaphthalene C10H8O4 0 19/09/2018 Melanin biosynthesis tton Trithionate H2O6S3 0 02/07/2014 Respiration tudca3s Tauroursodeoxycholic acid 3-sulfate C26H44NO9S2 -1 03/01/2017 Bile acid synthesis tungs tungstate O4W1 -2 02/07/2014 turan_D D-Turanose C12H22O11 C12H22O11 0 C19636 26/08/2019 Fructose and mannose metabolism txa2 thromboxane A2(1-) C20H31O5 -1 C02198 5280497 15627 DSNBHJFQCNUKMA-UJIKMVLPSA-M HMDB01452 02/07/2014 Eicosanoid metabolism txb2 Thromboxane B2 C20H33O6 -1 XNRNNGPBEPRNAR-IUMIINJXSA-M 03/01/2017 Eicosanoid metabolism tym Tyramine C8H12NO 1 C00483 5610 15760 DZGWFCGJZKJUFP-UHFFFAOYSA-O HMDB00306 02/07/2014 Tyrosine metabolism tymsf Tyramine O-sulfate C8H11NO4S 0 153005 DYDUXGMDSXJQFT-UHFFFAOYSA-N HMDB06409 02/07/2014 Tyrosine metabolism Tyr_ggn Tyr-194 of apo-glycogenin protein (primer for glycogen synthesis) XOH 0 02/07/2014 Starch and sucrose metabolism tyr_L L-tyrosine C9H11NO3 0 C00082 6057 17895 OUYCCCASQSFEME-QMMMGPOBSA-N HMDB00158 02/07/2014 Folate metabolism tyrala Tyrosyl-Alanine C12H16N2O4 0 NLKUJNGEGZDXGO-OIBJUYFYSA-N 03/01/2017 Peptide metabolism tyralaphe Tyrosyl-Alaninyl-Phenylalanine C21H25N3O5 0 XGEUYEOEZYFHRL-MORSLUCNSA-N 03/01/2017 Peptide metabolism tyrargglu Tyrosyl-Arginyl-Glutamate C20H30N6O7 0 HTHCZRWCFXMENJ-ZNMIVQPWSA-N 03/01/2017 Peptide metabolism tyrargser Tyrosyl-Arginyl-Serine C18H29N6O6 1 IIJWXEUNETVJPV-MJBXVCDLSA-O 03/01/2017 Peptide metabolism tyrasparg Tyrosyl-Aspartyl-Arginine C19H28N6O7 0 BARBHMSSVWPKPZ-MELADBBJSA-N 03/01/2017 Peptide metabolism tyrcysgly Tyrosyl-Cysteinyl-Glycine C14H19N3O5S 0 FQNUWOHNGJWNLM-WDEREUQCSA-N 03/01/2017 Peptide metabolism tyrcysthr Tyrosyl-Cysteinyl-Threonine C16H23N3O6S 0 UMXSDHPSMROQRB-KNDHEWATSA-N 03/01/2017 Peptide metabolism tyrglu Tyrosyl-Glutamate C14H17N2O6 -1 PDSLRCZINIDLMU-WDEREUQCSA-M 03/01/2017 Peptide metabolism tyrleuarg Tyrosyl-Leucyl-Arginine C21H35N6O5 1 QSFJHIRIHOJRKS-YESZJQIVSA-O 03/01/2017 Peptide metabolism tyrp Phosphotyrosine C9H10NO6P -2 02/07/2014 tyrphetyr Tyrosyl-Phenylalanyl-Tyrosine C27H29N3O6 0 PHKQVWWHRYUCJL-VXNXHJTFSA-N 03/01/2017 Peptide metabolism tyrsl Tyrosol C8H10O2 0 19/09/2018 Tyrosine metabolism tyrthr Tyrosyl-Threonine C13H18N2O5 0 MFEVVAXTBZELLL-BKDNQFJXSA-N 03/01/2017 Peptide metabolism tyrtrna L-Tyrosyl-tRNA(Tyr) C9H10NO2R 1 02/07/2014 tRNA Charging tyrtrpphe Tyrosyl-Tryptophanyl-Phenylalanine C29H30N4O5 0 ABZWHLRQBSBPTO-RNXOBYDBSA-N 03/01/2017 Peptide metabolism tyrtyr Tyrosyl-Tyrosine C18H20N2O5 0 JAQGKXUEKGKTKX-JKSUJKDBSA-N 03/01/2017 Peptide metabolism tyrvalmet Tyrosyl-Valyl-Methionine C19H29N3O5S 0 SMUWZUSWMWVOSL-HRCADAONSA-N 03/01/2017 Peptide metabolism tzeatn trans-Zeatin C10H13N5O 0 19/09/2018 Zeatin biosynthesis u23ga UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine C43H75N3O20P2 -2 02/07/2014 Lipopolysaccharide biosynthesis u23ga_bt UDP-2(3-hydroxypalmitoyl)-3(anteiso-C17)glucosamine C48H85N3O20P2 -2 02/07/2014 u23ga_HP UDP-2(3-hydroxyoctadecanoyl)-3(3-hydroxypalmetoyl)glucosamine C49H87N3O20P2 -2 17/07/2015 u2ga_bt u2ga_bt C48H86N3O20P2 -1 02/07/2014 u2ga_HP u2ga_HP C51H92N3O19P2 -1 17/07/2015 u2hga_bt UDP-2-hydroxyoctadecanoyl-D-glucosamine C31H54N3O18P2 -1 02/07/2014 u2hga_HP UDP-2-hydroxyoctadecanoyl-D-glucosamine C33H58N3O18P2 -1 02/07/2014 u3aga UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine C31H51N3O19P2 -2 02/07/2014 Aminosugar metabolism u3aga_HP UDP-3-O-(3-hydroxypalmetoyl)-N-acetylglucosamine C33H55N3O19P2 -2 02/07/2014 Aminosugar metabolism u3hga UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine C29H50N3O18P2 -1 02/07/2014 Lipopolysaccharide biosynthesis u3hga_HP UDP-3-O(3-hydroxypalmetoyl)-D-glucosamine C31H54N3O18P2 -1 02/07/2014 u3rbnsd Urate-3-ribonucleoside C10H12N4O7 0 19/09/2018 Purine catabolism u5dpb Uridine 5-diphospho-beta-(4-deoxy-4-formamido-L-arabinose) C15H21N3O16P2 -2 19/09/2018 Pentose and glucuronate interconversions uaaAgla Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine C94H153N8O26P2 -3 02/07/2014 Cell wall biosynthesis uaaAgtla Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine C94H155N9O25P2 -2 02/07/2014 Cell wall biosynthesis uaaGgla Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine C94H153N8O26P2 -3 02/07/2014 Cell wall biosynthesis uaaGgtla Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine C94H155N9O25P2 -2 02/07/2014 Cell wall biosynthesis uaAgla Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine C86H140N7O21P2 -3 02/07/2014 Cell wall biosynthesis uaagmda Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala C95H152N8O28P2 -4 02/07/2014 Cell wall biosynthesis uaagmdalac Undecaprenyl_diphospho_N_acetylmuramoyl__N_acetylglucosamine__L_alanyl_D_glutamyl_meso_2_6_diaminopimeloyl_D_alanyl_D_lactate X 0 02/07/2014 uaagtmda Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine C95H154N9O27P2 -3 02/07/2014 Cell wall biosynthesis uaccg UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine C20H26N3O19P2 -3 02/07/2014 Aminosugar metabolism uacgam UDP-N-acetyl-alpha-D-glucosamine(2-) C17H25N3O17P2 -2 C00043 445675 16264 LFTYTUAZOPRMMI-SQUNQTHHSA-L HMDB00290 02/07/2014 Aminosugar metabolism uacmam UDP-N-acetyl-D-mannosamine C17H25N3O17P2 -2 HMDB0013112 02/07/2014 Aminosugar metabolism uacmamu UDP-N-acetyl-D-mannosaminouronate C17H22N3O18P2 -3 02/07/2014 Aminosugar metabolism uaGgla Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine C86H140N7O21P2 -3 02/07/2014 Cell wall biosynthesis uAgl UDP_N_acetylmuramoyl_L_alanyl_D_glutamyl_L_lysine C34H51N7O24P2 0 02/07/2014 uAgla UDP_N_acetylmuramoyl_L_alanyl_D_glutamyl_L_lysyl_D_alanyl_D_alanine C40H62N9O26P2 0 02/07/2014 uagmda Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine C87H139N7O23P2 -4 02/07/2014 Cell wall biosynthesis uagmdalac Undecaprenyl_diphospho_N_acetylmuramoyl_L_alanyl_D_glutamyl_meso_2_6_diaminopimeloyl_D_alanyl_D_lactate X 0 02/07/2014 uama UDP-N-acetylmuramoyl-L-alanine C23H33N4O20P2 -3 02/07/2014 Cell wall biosynthesis uamag UDP-N-acetylmuramoyl-L-alanyl-D-glutamate C28H39N5O23P2 -4 02/07/2014 Cell wall biosynthesis uamr UDP-N-acetylmuramate C20H28N3O19P2 -3 02/07/2014 Cell wall biosynthesis ubqn Ubiquinone C19H26O4 0 19/09/2018 uchol Ursocholate C24H40O5 C24H39O5 -1 C17644 HMDB00917 22/12/2016 Bile acid metabolism ucnlpa Undecaprenyl phosphate alpha-L-Ara4FN C61H99NO8P -1 19/09/2018 Pentose and glucuronate interconversions udca3s Ursodeoxycholic acid 3-sulfate C24H38O7S -2 03/01/2017 Bile acid synthesis udcdp10Oag Undecaprenyl-diphosphate-O-antigene-10x C295H490O177P2 0 02/07/2014 udcdp11Oag Undecaprenyl-diphosphate-O-antigene-11x C319H530O194P2 0 02/07/2014 udcdp12Oag Undecaprenyl-diphosphate-O-antigene-12x C343H570O211P2 0 02/07/2014 udcdp13Oag Undecaprenyl-diphosphate-O-antigene-13x C367H610O228P2 0 02/07/2014 udcdp14Oag Undecaprenyl-diphosphate-O-antigene-14x C391H650O245P2 0 02/07/2014 udcdp15Oag Undecaprenyl-diphosphate-O-antigene-15x C415H690O262P2 0 02/07/2014 udcdp16Oag Undecaprenyl-diphosphate-O-antigene-16x C439H730O279P2 0 02/07/2014 udcdp17Oag Undecaprenyl-diphosphate-O-antigene-17x C463H770O296P2 0 02/07/2014 udcdp18Oag Undecaprenyl-diphosphate-O-antigene-18x C487H810O313P2 0 02/07/2014 udcdp19Oag Undecaprenyl-diphosphate-O-antigene-19x C511H850O330P2 0 02/07/2014 udcdp20Oag Undecaprenyl-diphosphate-O-antigene-20x C535H890O347P2 0 02/07/2014 udcdp2Oag Undecaprenyl-diphosphate-O-antigene-2x C103H170O41P2 0 02/07/2014 udcdp3Oag Undecaprenyl-diphosphate-O-antigene-3x C127H210O58P2 0 02/07/2014 udcdp4Oag Undecaprenyl-diphosphate-O-antigene-4x C151H250O75P2 0 02/07/2014 udcdp5Oag Undecaprenyl-diphosphate-O-antigene-5x C175H290O92P2 0 02/07/2014 udcdp6Oag Undecaprenyl-diphosphate-O-antigene-6x C199H330O109P2 0 02/07/2014 udcdp7Oag Undecaprenyl-diphosphate-O-antigene-7x C223H370O126P2 0 02/07/2014 udcdp8Oag Undecaprenyl-diphosphate-O-antigene-8x C247H410O143P2 0 02/07/2014 udcdp9Oag Undecaprenyl-diphosphate-O-antigene-9x C271H450O160P2 0 02/07/2014 udcdpgal Undecaprenyl-diphosphate-galactose C61H100O12P2 0 02/07/2014 udcdpgalrmn Undecaprenyl-diphosphate-galactose-rhamnose C67H110O16P2 0 02/07/2014 udcdpgalrmnman Undecaprenyl-diphosphate-galactose-rhamnose-mannose C73H120O21P2 0 02/07/2014 udcdpgalrmnmanabe Undecaprenyl-diphosphate-galactose-rhamnose-mannose-abequose C79H130O24P2 0 02/07/2014 udcp Undecaprenol C55H90O 0 02/07/2014 Cell wall biosynthesis udcpdp Undecaprenyl diphosphate C55H89O7P2 -3 HMDB01469 02/07/2014 Cell wall biosynthesis udcpg Undecaprenyl diphosphate galactose C61H102O12P2 0 02/07/2014 Cell wall biosynthesis udcpgr Undecaprenyl diphosphate galactose-rhamnose C67H112O16P2 0 02/07/2014 Cell wall biosynthesis udcpgrm Undecaprenyl diphosphate galactose-rhamnose-mannose C73H122O21P2 0 02/07/2014 Cell wall biosynthesis udcpo4 Undecaprenyl diphosphate galactose-rhamnose-mannose-abequose C79H132O24P2 0 02/07/2014 udcpo5 Undecaprenyl diphosphate galactose-rhamnose-mannose-abequose-acetyl C81H134O25P2 0 02/07/2014 udcpp Undecaprenyl phosphate C55H89O4P -2 02/07/2014 Cell wall biosynthesis udoholcoa Ursodeoxycholoyl-CoA C45H74N7O19P3S C45H70N7O19P3S -4 C17689 22/12/2016 Bile acid metabolism udp UDP C9H11N2O12P2 -3 C00015 6031 17659 XCCTYIAWTASOJW-XVFCMESISA-K HMDB00295 02/07/2014 Aminosugar metabolism udp4dh6dodg UDP-4-dehydro-6-deoxy-D-glucose C15H22N2O16P2 C15H20N2O16P2 -2 19/09/2018 Pentose and glucuronate interconversions udp4kp UDP-4-ketopentose C14H18N2O16P2 -2 19/09/2018 Nucleotide sugar metabolism udpa6g1pdglcmn UDP-N-acetyl-6-(D-galactose-1-phospho)-D-glucosamine C23H38N3O25P3 C23H35N3O25P3 -3 19/09/2018 Pentose and glucuronate interconversions udpacgal UDP-N-acetyl-D-galactosamine(2-) C17H25N3O17P2 -2 C00203 1167 16650 LFTYTUAZOPRMMI-CANYFDIJSA-L HMDB00304 02/07/2014 Aminosugar metabolism udpacmaadglys UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine C34H52N7O24P2 -3 19/09/2018 Cell wall biosynthesis udpadolarab UDP-4-amino-4-deoxy-L-arabinose C14H22N3O15P2 -1 19/09/2018 Nucleotide sugar metabolism udpagal46bs UDP-N-acetyl-D-galactosamine 4,6-bissulfate C17H23N3O23P2S2 -4 19/09/2018 Sulfur metabolism udpagal4s UDP-N-acetyl-D-galactosamine 4-sulfate C17H24N3O20P2S -3 19/09/2018 Sulfur metabolism udpagalamnt UDP-N-acetyl-D-galactosaminuronic acid C17H22N3O18P2 -3 19/09/2018 Pentose and glucuronate interconversions udpagaurnt UDP-N-acetyl-D-glucosaminouronate C17H22N3O18P2 -3 19/09/2018 Pentose and glucuronate interconversions udparabns UDP-L-arabinose C14H20N2O16P2 C14H20N2O16P2 -2 19/09/2018 Nucleotide salvage pathway udpas UDP-apiose C14H20N2O16P2 -2 19/09/2018 Plant polysaccharide degradation udpg UDPglucose C15H22N2O17P2 -2 C00029 53477679 52249 HSCJRCZFDFQWRP-JZMIEXBBSA-L HMDB00286 02/07/2014 Aminosugar metabolism udpgal UDP-D-galactose(2-) C15H22N2O17P2 -2 C00052 18068 67119 HSCJRCZFDFQWRP-ABVWGUQPSA-L HMDB00302 02/07/2014 Aminosugar metabolism udpgalfur UDP-D-galacto-1,4-furanose C15H22N2O17P2 -2 02/07/2014 Aminosugar metabolism udpgalsmn UDP-galactosamine C15H24N3O16P2 -1 19/09/2018 Aminosugar metabolism udpgalur UDPgalacturonate C15H19N2O18P2 -3 02/07/2014 Pentose and glucuronate interconversions udpglcur UDP-D-glucuronate C15H19N2O18P2 -3 C00167 17473 17200 HDYANYHVCAPMJV-LXQIFKJMSA-K HMDB00935 02/07/2014 Bile acid synthesis udpidour UDP-L-iduronate C15H22N2O18P2 C15H19N2O18P2 -3 C02330 02/07/2014 Pentose and glucuronate interconversions udpLa4fn uridine 5-diphospho-{beta}-4-deoxy-4-formamido-L-arabinose C15H21N3O16P2 -2 02/07/2014 udpLa4n uridine 5-diphospho-{beta}-4-deoxy-4-amino-L-arabinose C14H22N3O15P2 -1 02/07/2014 udpLa4o UDP-4-keto-pyranose C14H18N2O16P2 -2 02/07/2014 Pentose and glucuronate interconversions udprib udp-ribose C14H22N2O17P2 C14H20N2O17P2 -2 02/07/2014 Drug metabolism udpsq UDP-6-sulfoquinovose C15H21N2O19P2S -3 C11521 01/07/2019 Aminosugar metabolism udpxyl UDP-alpha-D-xylose(2-) C14H20N2O16P2 -2 C00190 439179 16082 DQQDLYVHOTZLOR-FZBGIWSZSA-L HMDB01018 02/07/2014 Chondroitin synthesis ugam UDP-glucosamine C15H24N3O16P2 -1 02/07/2014 Aminosugar metabolism uGgl UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine C34H52N7O24P2 -3 C05928 12/11/2020 Cell wall biosynthesis uGgla UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine C40H62N9O26P2 -3 02/07/2014 Cell wall biosynthesis ugmd UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate C35H51N7O26P2 -4 02/07/2014 Cell wall biosynthesis ugmda UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine C41H61N9O28P2 -4 02/07/2014 Cell wall biosynthesis ugmdalac UDP_N_acetylmuramoyl_L_alanyl_D_glutamyl_meso_2_6_diaminopimeloyl_D_alanyl_D_lactate X 0 02/07/2014 uLa4fn undecaprenyl phosphate-4-amino-4-formyl-L-arabinose C61H99N1O8P1 -1 02/07/2014 uLa4n undecaprenyl phosphate-4-amino-4-deoxy-L-arabinose C60H100N1O7P1 0 02/07/2014 um4p UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine C38H56N8O27P2 -4 02/07/2014 Cell wall biosynthesis ump UMP C9H11N2O9P -2 C00105 6030 16695 DJJCXFVJDGTHFX-XVFCMESISA-L HMDB00288 02/07/2014 Cell wall biosynthesis unaga Undecaprenyl diphospho N-acetyl-glucosamine C63H103NO12P2 -2 02/07/2014 Aminosugar metabolism unagama Undecaprenyl_diphospho_N_acetylglucosamine_N_acetylmannosamine X 0 02/07/2014 unagamagp Undecaprenyl_diphospho_N_acetylglucosamine_N_acetylmannosamine_glycerolphosphate X 0 02/07/2014 unagamu Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate C71H113N2O18P2 -3 02/07/2014 Cell wall biosynthesis unagamuf Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose C79H126N3O22P2 -3 02/07/2014 Cell wall biosynthesis undcoa undecanoylcoa C32H52N7O17P3S -4 53481608 IZWCGXGZGYKDHR-WMMBNDHFSA-J HMDB13114 02/07/2014 Fatty acid oxidation unRTA undecaprenyl_teichoic_acid_with_ribitol X 0 02/07/2014 unsdigalur 4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate, Unsaturated digalacturonate C12H16O12 C12H14O12 -2 C06118 02/07/2014 Plant polysaccharide degradation up4g P1,P4-Bis(5-uridyl) tetraphosphate; UppppU C18H26N4O23P4 C18H22N4O23P4 -4 C06198 148197 NMLMACJWHPHKGR-NCOIDOBVSA-N HMDB06796 02/07/2014 Pyrimidine catabolism uppg3 Uroporphyrinogen III C40H36N4O16 -8 C01051 1179 15437 HUHWZXWWOFSFKF-UHFFFAOYSA-F HMDB01086 02/07/2014 Heme synthesis ura uracil C4H4N2O2 0 C00106 1174 17568 ISAKRJDGNUQOIC-UHFFFAOYSA-N HMDB00300 02/07/2014 Glycine, serine, alanine, and threonine metabolism ura5c Uracil 5-carboxylate C5H3N2O4 -1 19/09/2018 Nucleotide salvage pathway urate Urate C5H4N4O3 0 C00366 1175 17775 LEHOTFFKMJEONL-UHFFFAOYSA-N HMDB00289 02/07/2014 Drug metabolism urcan Urocanate C6H5N2O2 -1 C00785 736715 27248 LOIYMIARKYCTBW-UHFFFAOYSA-M HMDB00301 02/07/2014 Histidine metabolism urdgly Ureidoglycine C3H7N3O3 C3H7N3O3 0 C02091 5176 16282 NC(NC(N)=O)C(O)=O 02/07/2014 Purine catabolism urdglyc (-)-Ureidoglycolate C3H5N2O4 -1 HMDB01005 02/07/2014 Nitrogen metabolism urea Urea CH4N2O 0 C00086 1176 16199 XSQUKJJJFZCRTK-UHFFFAOYSA-N HMDB00294 02/07/2014 Alanine and aspartate metabolism uri Uridine C9H12N2O6 0 C00299 6029 16704 DRTQHJPVMGBUCF-XVFCMESISA-N HMDB00296 02/07/2014 Nucleotide interconversion urocan Urocanate C6H5N2O2 -1 02/07/2014 urscholcoa Ursodeoxycholyl Coenzyme A C45H70N7O19P3S -4 IIWDDMINEZBCTG-UHFFFAOYSA-J 03/01/2017 Bile acid synthesis utp UTP C9H11N2O15P3 -4 C00075 6133 15713 PGAVKCOVUIYSFO-XVFCMESISA-J HMDB00285 02/07/2014 Aminosugar metabolism vacc trans-vaccenate C18H33O2 -1 C08367 5281127 28727 UWHZIFQPPBDJPM-UHFFFAOYSA-N HMDB03231 02/07/2014 Cholesterol metabolism vacccoa vaccenyl coenzyme A C39H64N7O17P3S -4 53477847 HEJOXXLSCAQQGQ-NPPGZUNGSA-N HMDB06521 02/07/2014 vacccrn Vaccenyl carnitine C25H47NO4 0 53477830 FYTSXCMSQVVSOE-ZHACJKMWSA-N HMDB06351 02/07/2014 val_L L-valine C5H11NO2 0 C00183 6287 16414 KZSNJWFQEVHDMF-BYPYZUCNSA-N HMDB00883 02/07/2014 Peptide metabolism valarggly Valyl-Arginyl-Glycine C13H27N6O4 1 COYSIHFOCOMGCF-WCBMZHEXSA-O 03/01/2017 Peptide metabolism valhisasn Valyl-Histidyl-Asparagine C15H24N6O5 0 OACSGBOREVRSME-HOSYDEDBSA-N 03/01/2017 Peptide metabolism valleuphe Valyl-Leucyl-Phenylalanine C20H31N3O4 0 ZZGPVSZDZQRJQY-GVDBMIGSSA-N 03/01/2017 Peptide metabolism vallystyr Valyl-Lysyl-Tyrosine C20H33N4O5 1 UOUIMEGEPSBZIV-GVDBMIGSSA-O 03/01/2017 Peptide metabolism valphearg Valyl-Phenylalanyl-Arginine C20H33N6O4 1 VNGKMNPAENRGDC-XHSDSOJGSA-O 03/01/2017 Peptide metabolism valprotrp Valyl-Prolyl-Tryptophan C21H28N4O4 0 NSUUANXHLKKHQB-BZSNNMDCSA-N 03/01/2017 Peptide metabolism valserarg Valyl-Seryl-Arginine C14H29N6O5 1 AJNUKMZFHXUBMK-AEJSXWLSSA-O 03/01/2017 Peptide metabolism valtrna L-Valyl-tRNA(Val) C5H10NOR 1 02/07/2014 tRNA Charging valtrpphe Valyl-Tryptophanyl-Phenylalanine C25H30N4O4 0 LZRWTJSPTJSWDN-BHDDXSALSA-N 03/01/2017 Peptide metabolism valtrpval Valyl-Tryptophanyl-Valine C21H30N4O4 0 KJFBXCFOPAKPTM-RCCFBDPRSA-N 03/01/2017 Peptide metabolism valval Valyl-Valine C10H20N2O3 0 KRNYOVHEKOBTEF-JGVFFNPUSA-N 03/01/2017 Peptide metabolism vanillac Vanil-Lactate C10H11O5 -1 SVYIZYRTOYHQRE-UHFFFAOYSA-M 03/01/2017 Tyrosine metabolism vanilpyr Vanilpyruvic Acid C10H9O5 -1 YGQHQTMRZPHIBB-UHFFFAOYSA-M 03/01/2017 Tyrosine metabolism vanlt Vanillate C8H7O4 -1 12/11/2020 Aminobenzoate degradation vcnse Vicianose C11H20O10 0 19/09/2018 Plant polysaccharide degradation vitd2 vitamin D2 C28H44O 0 C05441 5280793 28934 MECHNRXZTMCUDQ-RKHKHRCZSA-N HMDB00900 02/07/2014 Vitamin D metabolism vitd3 calciol C27H44O 0 C05443 10883523 28940 QYSXJUFSXHHAJI-YRZJJWOYSA-N HMDB00876 02/07/2014 Vitamin D metabolism vitKepox Vitamin K1 epoxide C31H46O3 0 C05849 01/10/2018 Ubiquinone and other terpenoid-quinone biosynthesis vitxn Vitexin, Apigenin 8-C-glucoside C21H20O10 C21H19O10 -1 C01460 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism vitxn2oglc Vitexin 2-O-beta-D-glucoside C27H30O15 C27H29O15 -1 C04024 01/07/2019 Flavonoid, isoflavonoid, and polyphenol metabolism vldl_hs Very Low Density Lipoprotein X 0 03/01/2017 Glycerophospholipid metabolism vmcn Viomycin C25H46N13O10 C25H46N13O10 3 19/09/2018 Xenobiotics metabolism vmln Vomilenine C21H22N2O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism vnlcnd Vinyl cyanide C3H3N 0 19/09/2018 Xenobiotics metabolism vnrn Vinorine C21H22N2O2 0 19/09/2018 Indole alkaloid biosynthesis vrmln Vermelone C10H10O3 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism vxthn Violaxanthin C40H56O4 0 19/09/2018 Flavonoid, isoflavonoid, and polyphenol metabolism wharachd w-hydroxyl arachidonic acid C20H31O3 -1 C14748 5283157 34306 NNDIXBJHNLFJJP-DTLRTWKJSA-M HMDB05998 02/07/2014 Eicosanoid metabolism whddca omega hydroxy dodecanoate (n-C12:0) C12H23O3 -1 C08317 79034 39567 ZDHCZVWCTKTBRY-UHFFFAOYSA-M HMDB02059 02/07/2014 Cytochrome metabolism whhdca 16-Hydroxy hexadecanoic acid C16H30O3 -1 C18218 7058075 55329 UGAGPNKCDRTDHP-UHFFFAOYSA-M HMDB06294 02/07/2014 Cytochrome metabolism whtststerone w hydroxy testosterone C19H28O3 0 C05294 16395893 798 YLTCTXBDDHSLCS-KOUJMVCDSA-N HMDB0060089 02/07/2014 Steroid metabolism whttdca omega hydroxy tetradecanoate (n-C14:0) C14H27O3 -1 JOSXCARTDOQGLV-UHFFFAOYSA-M 02/07/2014 Cytochrome metabolism xan Xanthine C5H4N4O2 0 C00385 1188 17712 LRFVTYWOQMYALW-UHFFFAOYSA-N HMDB00292 02/07/2014 Caffeine metabolism xan8cbxl Xanthine-8-carboxylate C6H4N4O4 C6H3N4O4 -1 C03314 01/07/2019 Others xdp XDP C10H11N4O12P2 -3 02/07/2014 Nucleotide interconversion xmp Xanthosine 5-phosphate C10H11N4O9P -2 C00655 73323 15652 DCTLYFZHFGENCW-UUOKFMHZSA-L HMDB01554 02/07/2014 Bile acid synthesis xnthptrnb2 Xanthopterin-B2 C9H10N4O4 0 19/09/2018 Tetrahydrobiopterin metabolism xol24oh (24S)-24-hydroxycholesterol C27H46O2 0 C13550 121948 34310 IOWMKBFJCNLRTC-XWXSNNQWSA-N HMDB01419 02/07/2014 Bile acid synthesis xol24oh24g (24S)-24-Hydroxycholesterol-24glucuronide C33H54O8 0 13/02/2017 xol24oh24g3s (24S)-24-Hydroxycholesterol-24glucuronide 3-sulfate C33H53O11S -1 13/02/2017 xol24oh3s (24S)-24-Hydroxycholesterol 3-sulfate C27H45O5S -1 13/02/2017 xol25oh 25-hydroxycholesterol C27H46O2 0 C15519 65094 42977 INBGSXNNRGWLJU-ZHHJOTBYSA-N HMDB06247 02/07/2014 Bile acid synthesis xol27oh 26-hydroxycholesterol C27H46O2 0 C06340 123976 17703 FYHRJWMENCALJY-CCDZVGGQSA-N HMDB02103 02/07/2014 Bile acid synthesis xol7a 20-hydroxycholesterol C27H46O2 0 C03594 53477732 1296 MCKLJFJEQRYRQT-APGJSSKUSA-N HMDB01496 02/07/2014 Bile acid synthesis xol7ah 7alpha-hydroxy-5beta-cholestan-3-one C27H46O2 0 C05451 53477905 2290 HWOOALPDOJHOPO-YREUSXKVSA-N HMDB06892 02/07/2014 Bile acid synthesis xol7ah2 5beta-cholestane-3alpha,7alpha-diol C27H48O2 0 C05452 3080603 28047 APYVEUGLZHAHDJ-RKKKAKDSSA-N HMDB06893 02/07/2014 Bile acid synthesis xol7ah2al 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al C27H46O3 0 C05445 53477906 27428 YWGOKHMOJTZGBN-SOUOFJFXSA-N HMDB06894 02/07/2014 Bile acid synthesis xol7ah3 5beta-cholestane-3alpha,7alpha,26-triol C27H48O3 0 C05444 53481409 28540 OQIJRBFRXGIHMI-SOUOFJFXSA-N HMDB0012455 02/07/2014 Bile acid synthesis xol7aone 7alpha-hydroxycholest-4-en-3-one C27H44O2 0 C05455 123743 17899 IOIZWEJGGCZDOL-RQDYSCIWSA-N HMDB01993 02/07/2014 Bile acid synthesis xoldiolone 7alpha,12alpha-Dihydroxycholest-4-en-3-one C27H44O3 0 C05457 21252277 28477 UQPYXHJTHPHOMM-NIBOIBLTSA-N HMDB02197 02/07/2014 Bile acid synthesis xoldioloneh 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one C27H46O3 0 C05453 53477903 2288 HHVQPBXBALLUDF-QORHGLQKSA-N HMDB06887 02/07/2014 Bile acid synthesis xolest_hs cholesterol ester C27H45XCO2 0 17002 02/07/2014 Cholesterol metabolism xolest181_hs 1-Vaccenoyl-Cholesterol, Cholesterol-Ester (18:1, Delta 11) C45H78O2 0 BNQAKMBVXYXXED-OTAUEQBWSA-N 03/01/2017 Cholesterol metabolism xolest182_hs 1-Linoleoyl-Cholesterol, Cholesterol-Ester (18:2, Delta 9, 12) C45H76O2 0 NAACPBBQTFFYQB-DOMLJQEXSA-N 03/01/2017 Cholesterol metabolism xolest183_hs 1-Gamma-Linolenoyl-Cholesterol, Cholesterol-Ester (18:3, Delta 6, 9, 12) C45H74O2 0 53480458 GOHHVMNZYOLIPQ-GHOVPUJYSA-N HMDB0010369 03/01/2017 Cholesterol metabolism xolest2_hs cholesterol ester C27H45FULLR2CO2 0 17002 02/07/2014 Cholesterol metabolism xolest204_hs Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14) C47H76O2 0 IMXSFYNMSOULQS-ZSHIVWLMSA-N 03/01/2017 Cholesterol metabolism xolest205_hs 1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17) C47H74O2 0 XZFUGMCJZFRBKF-WTILQNAVSA-N 03/01/2017 Cholesterol metabolism xolest226_hs Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19) C49H76O2 0 VOEVEGPMRIYYKC-LFHFTWSPSA-N 03/01/2017 Cholesterol metabolism xoltetrol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol C27H48O4 0 C05446 193321 17278 XJZGNVBLVFOSKJ-XZULNKEGSA-N HMDB01231 02/07/2014 Bile acid synthesis xoltri24 (24S)-7alpha,24-dihydroxycholesterol C27H46O3 0 C15518 11954196 37640 ZNCHPOYZMVVJCK-UCJAYVHQSA-N 02/07/2014 Bile acid synthesis xoltri25 7alpha,25-dihydroxycholesterol C27H46O3 0 C15520 11954197 37623 BQMSKLCEWBSPPY-IKVTXIKFSA-N HMDB06280 02/07/2014 Bile acid synthesis xoltri27 7alpha,26-dihydroxycholesterol C27H46O3 0 C06341 440985 18431 RXMHNAKZMGJANZ-DTTSCKGMSA-N HMDB06281 02/07/2014 Bile acid synthesis xoltriol 5beta-cholestane-3alpha,7alpha,12alpha-triol C27H48O3 0 C05454 160520 16496 RIVQQZVHIVNQFH-XJZYBRFWSA-N HMDB01457 02/07/2014 Bile acid synthesis xser Xyl-L-Ser (protein) C5H9O4X 0 C02399 02/07/2014 Chondroitin synthesis xtp XTP C10H11N4O15P3 -4 C00700 439296 10049 CAEFEWVYEZABLA-UUOKFMHZSA-J HMDB00293 02/07/2014 Nucleotide interconversion xtsn xanthosine C10H12N4O6 0 C01762 64959 18107 UBORTCNDUKBEOP-UUOKFMHZSA-N HMDB00299 02/07/2014 Caffeine metabolism xu1p_D D-Xylulose 1-phosphate C5H9O8P -2 14844436 71687 NBOCCPQHBPGYCX-NQXXGFSBSA-L HMDB06534 02/07/2014 Glyoxylate and dicarboxylate metabolism xu1p_L L-Xylulose 1-phosphate C5H9O8P -2 02/07/2014 Pentose and glucuronate interconversions xu5p_D D-xylulose 5-phosphate(2-) C5H9O8P -2 C00231 439190 16332 FNZLKVNUWIIPSJ-RFZPGFLSSA-L HMDB00868 02/07/2014 Methane metabolism xu5p_L L-Xylulose 5-phosphate C5H9O8P -2 02/07/2014 Pentose and glucuronate interconversions xyl_D aldehydo-D-xylose C5H10O5 0 C00181 135191 15936 PYMYPHUHKUWMLA-VPENINKCSA-N HMDB00098 02/07/2014 Chondroitin sulfate degradation xyl_L L-Xylose C5H10O5 0 C01510 P 02/07/2021 xylan Oat spelt xylan C2640H4226O2113 C2640H4226O2113 0 G00279 27/03/2015 Drug metabolism xylhl_L L-xylo-Hexulonolactone C6H8O6 C6H8O6 0 C03289 439966 73681 C(C(C1C(C(=O)C(=O)O1)O)O)O 03/02/2015 Ascorbate and aldarate metabolism xyllac_D D-Xylonolactone C5H8O5 C5H8O5 0 HMDB0011676 02/07/2014 Pentose and glucuronate interconversions xylnt L-xylonate C5H9O6 -1 C05411 6971043 48092 QXKAIJAYHKCRRA-NUNKFHFFSA-M HMDB0060256 02/07/2014 Vitamin C metabolism xylottr Xylooligosaccharide, xylotetraose C20H32O16 C20H32O16 0 G01577 26/08/2019 Plant polysaccharide degradation xylt xylitol C5H12O5 0 C00379 6912 17151 HEBKCHPVOIAQTA-SCDXWVJYSA-N HMDB02917 02/07/2014 Fructose and mannose metabolism xylt_D D-Xylonate C5H10O6 C5H9O6 -1 02/07/2014 Pentose and glucuronate interconversions xylu_D D-xylulose C5H10O5 0 C00310 5289590 17140 ZAQJHHRNXZUBTE-WUJLRWPWSA-N HMDB01644 02/07/2014 Glyoxylate and dicarboxylate metabolism xylu_L L-xylulose C5H10O5 0 C00312 22253 17399 ZAQJHHRNXZUBTE-WVZVXSGGSA-N HMDB00751 02/07/2014 Pentose and glucuronate interconversions xyluglc Xyloglucan C6438H10610O5245 C6438H10610O5245 0 27/03/2015 Drug metabolism yvite gamma-tocopherol C28H48O2 0 C02483 92729 18185 QUEDXNHFTDJVIY-DQCZWYHMSA-N HMDB01492 02/07/2014 Vitamin E metabolism zn2 Zinc Zn 2 C00038 32051 PTFCDOFLOPIGGS-UHFFFAOYSA-N HMDB01303 02/07/2014 zym_int2 zymosterol intermediate 2 C27H42O 0 C05437 22298942 18252 AUNLIRXIJAVBNM-ZMKODQQDSA-N HMDB06271 02/07/2014 Cholesterol metabolism zymst zymosterol C27H44O 0 C05437 92746 18252 CGSJXLIKVBJVRY-XTGBIJOFSA-N HMDB06271 02/07/2014 Cholesterol metabolism zymstnl 5alpha-cholest-8-en-3beta-ol C27H46O 0 C03845 101770 16608 QETLKNDKQOXZRP-XTGBIJOFSA-N HMDB06841 02/07/2014 Cholesterol metabolism 3slac 3-Sialyllactose C23H39NO19 C23H38NO19 -1 G00436 123914 HMDB0000825 03/02/2023 HMO degradation 3s_3fuclac 3-Sialyl-3-fucosyllactose C29H49NO23 C29H48NO23 -1 53477869 HMDB0006606 03/02/2023 HMO degradation 3sln 3-Sialyllactosamine C23H40N2O18 C23H40N2O18 0 53477870 HMDB0006607 03/02/2023 HMO degradation 3gallac 3-Galactosyllactose C18H32O16 C18H32O16 " G00386 " " 11755848" 504.438 HMDB0006599 03/02/2023 HMO degradation 6gallac 6'-Galactosyllactose C18H32O16 C18H32O16 0 G00478 129864686 03/02/2023 HMO degradation 6slac 6-Sialyllactose C23H39NO19 C23H38NO19 -1 G00265 643987 HMDB0006569 03/02/2023 HMO degradation dflnh_a Difucosyllacto-N-hexaose a C52H88N2O39 C52H88N2O39 0 124202089 HMDB06622 03/02/2023 HMO degradation dslacnttr Disialyllacto-N-tetraose C48H79N3O37 C48H77N3O37 -2 3085216 HMDB0006594 03/02/2023 HMO degradation fuclacnhx Monofucosyllacto-N-hexaose C46H78N2O35 C46H78N2O35 0 126017 HMDB0006612 03/02/2023 HMO degradation ilacNose iso-Lacto-N-octaose C48H79N3O35 C48H79N3O35 0 G12797 124501392 03/02/2023 HMO degradation lacnd Lacto-N-decaose C95H168N4O23 C95H168N4O23 0 G04631 53477880 HMDB0006650 03/02/2023 HMO degradation lacnfucpt_i Lacto-N-fucopentaose I C32H55NO25 C32H55NO25 0 G00535 53477883 HMDB06705 03/02/2023 HMO degradation lacnfucpt_ii Lacto-N-fucopentaose II C32H55NO25 C32H55NO25 0 G00623 168012 HMDB0006577 03/02/2023 HMO degradation lacnfucpt_iii Lacto-N-fucopentaose III C32H55NO25 C32H55NO25 0 G00557 53477857 HMDB0006576 03/02/2023 HMO degradation lacnfucpt_v Lacto-N-fucopentaose V C32H55NO25 C32H55NO25 0 G00899 53477884 HMDB0006706 03/02/2023 HMO degradation lacndfucpt_ii Lacto-N-difucopentaose II C38H65NO29 C38H65NO29 0 HMDB0001986 03/02/2023 HMO degradation lacnhx Lacto-N-hexaose C40H68N2O31 C40H68N2O31 0 G00993 53477866 HMDB0006602 03/02/2023 HMO degradation lacnn Lacto-N-neooctaose C54H91N3O41 C54H91N3O41 0 G12796 03/02/2023 HMO degradation lacNose Lacto-N-octaose C54H91N3O41 C54H91N3O41 0 G02881 03/02/2023 HMO degradation lnd Lacto-N-decaose C95H168N4O23 C95H168N4O23 0 G04631 53477880 HMDB0006650 03/02/2023 HMO degradation lndfh_ii Lacto-N-difucopentaose II C38H65NO29 C38H65NO29 0 53477740 HMDB01986 03/02/2023 HMO degradation lnnh Lacto-N-neohexaose C40H68N2O31 C40H68N2O31 0 G00555 22833673 HMDB0006610 03/02/2023 HMO degradation lntri_ii Lacto-N-triose II C20H35NO16 C20H35NO16 0 53477860 HMDB0006592 03/02/2023 HMO degradation lntri_i Lacto-N-triose I C20H35NO16 C20H35NO16 0 22609086 HMDB0039750 03/02/2023 HMO degradation neuac_lact N-acetylneuraminosyl(a2-6)lactosamine C25H42N2O19 C25H41N2O19 -1 HMDB0001081 03/02/2023 HMO degradation placNose para-Lacto-N-octaose C54H91N3O41 C54H91N3O41 0 G12798 22833680 HMDB0006691 03/02/2023 HMO degradation plnnh para-Lacto-N-hexaose C40H68N2O31 C40H68N2O31 0 G02993 22833594 HMDB0006628 03/02/2023 HMO degradation naclacn N-acetyllactosamine C14H25NO11 C14H25NO11 0 C00611 HMDB0001542 03/02/2023 HMO degradation naclacn6p N-acetyllactosamine-6-phosphate C14H25NO14P C14H24NO14P -2 03/02/2023 HMO degradation lacn Lactosamine C12H23NO10 C12H23NO10 0 C00203 HMDB0006591 03/02/2023 HMO degradation neulacnttr_b Sialyllacto-N-tetraose b C37H62N2O29 C37H61N2O29 -1 G00391 53477864 HMDB0006600 03/02/2023 HMO degradation neulacnttr_c Sialyllacto-N-tetraose c C37H62N2O29 C37H61N2O29 -1 G11147 4418533 HMDB06593 03/02/2023 HMO degradation dfuclac Difucosyllactose C24H42O19 C24H42O19 0 HMDB0006587 03/02/2023 HMO degradation dslac Disialyllactose C34H56N2O27 C34H54N2O27 -2 HMDB0006692 03/02/2023 HMO degradation lacnnhx Lacto-N-neohexaose C40H68N2O31 C40H68N2O31 0 G00555 HMDB0006610 03/02/2023 HMO degradation fuclachx Monofucosyllacto-N-hexaose C46H78N2O35 C46H77N2O35 -1 G00680 HMDB0006612 03/02/2023 HMO degradation galnb Galacto-N-biose C14H25NO11 C14H25NO11 0 129661805 HMDB0006600 03/02/2023 HMO degradation mets Methionine synthase enzyme X 0 04/08/2022 Vitamin B12 metabolism mets_C06453 [Methionine synthase]-methylcob(I)alamin C63H91CoN13O14PX 0 C06410 04/08/2022 Vitamin B12 metabolism mets_cbl1 [Methionine synthase]-cob(I)alamin C62H89CoN13O14PX 0 04/08/2022 Vitamin B12 metabolism mets_cbl2 [Methionine synthase]-cob(II)alamin C62H88CoN13O14PX 1 C06409 04/08/2022 Vitamin B12 metabolism mutApoE Methylmalonyl Coenzyme A Mutase enzyme X 0 04/08/2022 Vitamin B12 metabolism mutHoloE Adenosylcobalamin bound to Methylmalonyl Coenzyme A Mutase enzyme C72H100CoN18O17PX 0 04/08/2022 Vitamin B12 metabolism cbl1 Cob(I)alamin C62H89CoN13O14P 0 C00853 53477772 15982 OMAOKVYASDIYQG-DSRCUDDDSA-L HMDB03429 04/08/2022 Vitamin B12 metabolism cbl2 Cob(II)alamin C62H88CoN13O14P 1 C00541 16304 ASARMUCNOOHMLO-DSRCUDDDSA-L HMDB06316 04/08/2022 Vitamin B12 metabolism adocbl Adenosylcobalamin C72H100CoN18O17P 0 C00194 5459907 18408 ZIHHMGTYZOSFRC-OUCXYWSSSA-L HMDB02086 04/08/2022 Vitamin B12 metabolism con_adocbl Consumed adenosylcobalamin C72H100CoN18O17P 0 C00194 5459907 18408 ZIHHMGTYZOSFRC-OUCXYWSSSA-L HMDB02086 04/08/2022 Vitamin B12 metabolism hoxocbl Hydroxocobalamin C62H89CoN13O15P 0 C08230 27786 04/08/2022 Vitamin B12 metabolism ccbl Cyanocobalamin C63H88CoN14O14P 0 C02823 17439 04/08/2022 Vitamin B12 metabolism C06453 Methylcobalamin C63H91CoN13O14P 0 C06453 28115 UPAJMOGMOIFZMY-WZHZPDAFSA-L HMDB02274 04/08/2022 Vitamin B12 metabolism con_C06453 Methylcobalamin consumed C63H91CoN13O14P 0 C06453 28115 UPAJMOGMOIFZMY-WZHZPDAFSA-L HMDB02274 04/08/2022 Vitamin B12 metabolism aqcobal Aquacob(III)alamin C62H90CoN13O15P 1 C00992 15852 YOZNUFWCRFCGIH-WZHZPDAFSA-L HMDB03458 04/08/2022 Vitamin B12 metabolism 6hnac 6-Hydroxynicotinate C6H4NO3 -1 C01020 16168 BLHCMGRVFXRYRN-UHFFFAOYSA-M HMDB02658 15/07/2025 Nicotinate and nicotinamide metabolism 1acpc 1-Aminocyclopropane-1-carboxylate C4H7NO2 0 C01234 11251 PAJPWUMXBYXFCZ-UHFFFAOYSA-N HMDB36458 15/07/2025 Cysteine and methionine metabolism preq0 7-cyano-7-carbaguanine C7H5N5O 0 C15996 677358 FMKSMYDYKXQYRV-UHFFFAOYSA-N 15/07/2025 25dthpp 2 5 diamino 6 ribitylamino 4 3H pyrimidinone 5 phosphate C9H16N5O8P C9H16N5O8P -2 C18910 52402 ACIVVGBVOVHFPQ-RPDRRWSUSA-N 15/07/2025 Riboflavin metabolism 2mglutr 2-methyleneglutarate C6H6O4 -2 C02930 21703573 58056 CWNNYYIZGGDCHS-UHFFFAOYSA-L 15/07/2025 6othnic 6-oxo-1,4,5,6-tetrahydronicotinate C6H6NO3 -1 C04226 21123017 57777 SDKCWSUZEUBWLP-UHFFFAOYSA-M 15/07/2025 2fglutr 2-Formylglutarate C6H6O5 -2 C16159  47205469 49075 NMUKFRCHLYPKSR-UHFFFAOYSA-N 15/07/2025 2h2mglutr (S)-2-hydroxymethylglutarate C6H8O5 -2 C16390  47205688 49076 XPQIPNORJZZYPV-BYPYZUCNSA-N 15/07/2025 dmp dimethylallyl phosphate C5H9O4P -2 C21214    315431329 15/07/2025 Riboflavin metabolism 26fsdp (2Z,6E)-Farnesyl diphosphate C15H26O7P2 -2 C16826 96023350 19515 VWFJDQUYCIWHTN-PVMFERMNSA-K 15/07/2025 coFIII cobalt-factor III C43H40CoN4O16 -8 C17401 71306346 73299 RQHZZQLPDALGEQ-CYGMIEPJSA-D 15/07/2025 mnO2 Manganese(IV) oxide MnO2 0 C21744 14801 136511 NUJOXMJBOLGQSY-UHFFFAOYSA-N 15/07/2025 dttchexdp di-trans,tri-cis-hexaprenyl diphosphate C30H50O7P2 -2 C17434 25245249 81085 NGFSMHKFTZROKJ-SLKMIFNPSA-K 15/07/2025 dtdcpentdp di-trans,di-cis-pentaprenyl diphosphate C25H42O7P2 -2 C17435 25246285 81086 JMVSBFJBMXQNJW-PSTDWBAXSA-K 15/07/2025 dttechepdp ditrans,tetracis-Heptaprenyl diphosphate C35H58O7P2 -2 C17436 25245482 81087 LSJLEXWXRKTZAJ-KQKACQDCSA-K 15/07/2025 dtpcoctdp ditrans,pentacis-Octaprenyl diphosphate C40H66O7P2 -2 C17437 25244577 81088 IKKLDISSULFFQO-MXWMMQQISA-K 15/07/2025 dthcnondp di-trans,hexa-cis-nonaprenyl diphosphate C45H74O7P2 -2 C17438 25244754 81088 IVLBHBFTRNVIAP-HUIBRQQWSA-K 15/07/2025 23ggglyc CDP-2,3-bis-O-geranylgeranyl-sn-glycerol C52H83N3O13P2 -2 C18059 46878446 58838 DCAZOLWWPLSROK-DXHGDTBASA-L 15/07/2025 MoO2 MoO2(OH)-molybdopterin cofactor C10H10MoN5O8PS2 -2 C18237 135926587 71302 RVADHZKSUZKIRJ-BKZHXLINSA-J 15/07/2025 dcpp mono-trans,octa-cis-decaprenyl diphosphate C50H82O7P2 -2 C18321 45479373 87356 FSCYHDCTHRVSKN-DJNGBRKISA-K 15/07/2025 mn3 Manganese(3+) Mn 3 C19611  124490280 15/07/2025 799cnspr 7,9,9'-cis-neurosporene C40H58 0 C19759 25244751 62463 ATCICVFRSJQYDV-IFJQPPEWSA-N 15/07/2025 Sm5tins S-methyl-5'-thioinosine C11H14N4O4S 0 C19787 135511888 48595 GXYLOXCSJFJFKA-IOSLPCCCSA-N 15/07/2025 2gpl2phglyt 2-O-(α-D-glucopyranosyl)-3-phospho-D-glycerate C9H14O12P -3 C19791 53262383 62600 RJDBNSZFZDWPFL-CECBSOHTSA-K 15/07/2025 2gpl2glyt 2-O-(α-D-glucopyranosyl)-D-glycerate C9H15O9 -1 C19792 53262367 62510 DDXCFDOPXBPUJC-CECBSOHTSA-M 15/07/2025 glymanheptph D-glycero-α-D-manno-heptose 7-phosphate C7H13O10P -2 C19878 46906050 60203 SDADNVAZGVDAIM-QTNLNCNHSA-L 15/07/2025 ctdMoO2 cytidylyl MoO2(OH)-molybdopterin cofactor C19H22MoN8O15P2S2 -2 C21485 135915294 60538 ZOPFRBWJOPZGAV-MQPNXHJTSA-J 15/07/2025 6cthpt 6-carboxy-5,6,7,8-tetrahydropterin C7H8N5O3 -1 C20239 135911924 61032 QSIYONWVWDSRRO-UHFFFAOYSA-M 15/07/2025 2cmtzeph 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate C7H7NO6PS -3 C20247 53477624 62890 XWECMAHAKFWYNV-UHFFFAOYSA-K 15/07/2025 7c7dzgua 7-carboxy-7-deazaguanine C7H5N4O3 -1 C20248 136041714 61036 XIUIRSLBMMTDSK-UHFFFAOYSA-M 15/07/2025 cadThiS carboxy-adenylated-[ThiS sulfur-carrier protein] C14H19N7O9PR 0 15/07/2025 afuc_L α-L-fucopyranose C6H12O5 0 C20835 439554 42548 SHZGCJCMOBCMKK-SXUWKVJYSA-N 15/07/2025 23ggdpg1pser 2,3-bis-O-geranylgeranyl-sn-glycero-1-phosphoserine C46H77NO8P -1 C20466 70698354 71517 UPNGZNGTSDAVMT-JAQDALRISA-M 15/07/2025 btd_RS (R,S)-2,3-butanediol C4H10O2 0 C20657 220010 75460 OWBTYPJTUOEWEK-ZXZARUISSA-N 15/07/2025 bfuc_L β-L-fucopyranose C6H12O5 0 C20836 444863 42589 SHZGCJCMOBCMKK-KGJVWPDLSA-N 15/07/2025 ch4Te methanetelluronate CH3O3Te -1 70698379 71624 DPPANEFZFQYGIG-UHFFFAOYSA-M 15/07/2025 tcMoss thiocarboxylated [molybdopterin-synthase sulfur-carrier protein subunit] C4H7N2O2RS 0 15/07/2025 bMo bis(molybdenum cofactor) C20H20MoN10O13P2S4 -4 136630911 IHRHKHANGAHFPM-BURDSJQCSA-F 15/07/2025 bguMoO2 bis(guanylyl molybdopterin) cofactor C40H44MoN20O27P4S4 -4 136630930 SPLYCLQDZVSNSU-HWCCSRDCSA-F 15/07/2025 38cydhg5tp (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate C10H12N5O14P3 -4 C21310 135921686 131766 HRBCPXBJAWPPIC-FLISOKMQSA-J 15/07/2025 DsrCCys_L DsrC-L-Cysteine C6H11N2O2R3S2 1 15/07/2025 caMoss carboxy-adenylated [molybdopterin-synthase sulfur-carrier protein subunit] C14H19N7O9PR 0 15/07/2025 tcThiS thiocarboxylated-[ThiS sulfur-carrier protein] C4H7N2O2RS 0 C20728 15/07/2025 DsrCdsul a [DsrC protein] with an intramolecular disulfide bond C6H9N2O2R3S2 1 15/07/2025 glyliplys [glycine cleavage system lipoyl-carrier protein]-L-lysine C6H14N2OR2 2 15/07/2025 glyHoctlys [glycine-cleavage complex H protein] N6-octanoyl-L-lysine C14H27N2O2R2 1 15/07/2025 MoO2syn molybdopterin synthase sulfur carrier subunit C4H7N2O3R 0 15/07/2025 cOThiSP [CysO sulfur-carrier protein]-Gly-Gly C4H7N2O3R 0 15/07/2025 acitr_L N-Acetyl-L-citrulline C8H14N3O4 -1 C15532 17396524 49002 WMQMIOYQXNRROC-LURJTMIESA-M 15/07/2025 preq1 7-Aminomethyl-7-carbaguanine C7H10N5O 1 C16675 51090998 45126 15/07/2025 cIIbi cob(II)inamide C48H72CoN11O8 1 15/07/2025 MGD moldybdopterin_guanine_dinucleotide C20H22N10O15P2S2Mo -2 15/07/2025 te tellurium O3Te -2 15/07/2025 malmeACP Malonyl-ACP-methyl-ester C15H25N2O10PRS -1 C19673 15/07/2025 pfmnh2 Prenylated FMNH2 C22H29N4O9P -2 C21215 15/07/2025 7979clcpn 7,9,7',9'-Tetra-cis-lycopene C40H56 0 C15858 47205178 62466 15/07/2025