Metabolites
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D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptorCas#: 26993-30-6 Compound CID: 5283560Formula: C18H38NO5P Molecular Weight: 379.472IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphateSMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)OInChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-NInChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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cholest-5-ene-3β,24(S)-diol, Agonist of Liver X receptor-α;Agonist of Liver X receptor-βCas#: 474-73-7 Compound CID: 121948Formula: C27H46O2 Molecular Weight: 402.653IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(C)C(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OInChIKey: IOWMKBFJCNLRTC-XWXSNNQWSA-NInChI: InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1Synonyms: CHEBI:34310 | 24(S)-hydroxycholesterol | 24S-Cholest-5-ene-3b,24-diol | Cerebrosterin | (3beta,4alpha)-Cholest-5-ene-...
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cholest-(25R)-5-ene-3β,27-diol, Agonist of GPR183;Agonist of Liver X receptor-α;Agonist of Liver X receptor-βCas#: 20380-11-4 Compound CID: 123976Formula: C27H46O2 Molecular Weight: 402.65IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)COInChIKey: FYHRJWMENCALJY-YSQMORBQSA-NInChI: InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1Synonyms: 27-OHC | (25R) | 110818 | Cholest-5-ene-3-b,27-diol | PD018880 | CHOLEST-5-ENE-3.BETA.,26-DIOL, (25R)- | EX-A7666 | (...
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3β-hydroxy-5,24-cholestadieneCas#: 313-04-2 Compound CID: 439577Formula: C27H44O Molecular Weight: 384.64IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1Synonyms: 110798 | AVSXSVCZWQODGV-DPAQBDIFSA-N | F87896 | NSC-226126 | NSC 226126 | 24-Dehydrocholesterol | cholest-5,24-dien-3...
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3β-hydroxy-5,24-cholestadiene, Agonist of Liver X receptor-α;Agonist of Liver X receptor-βCas#: 313-04-2 Compound CID: 439577Formula: C27H44O Molecular Weight: 384.64IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: AVSXSVCZWQODGV-DPAQBDIFSA-NInChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1Synonyms: 110798 | AVSXSVCZWQODGV-DPAQBDIFSA-N | F87896 | NSC-226126 | NSC 226126 | 24-Dehydrocholesterol | cholest-5,24-dien-3...
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5,8,11,14-Eicosatetraynoic acid, Agonist of Peroxisome proliferator-activated receptor-αCas#: 1191-85-1 Compound CID: 1780Formula: C20H24O2 Molecular Weight: 296.5IUPAC Name: icosa-5,8,11,14-tetraynoic acidSMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)OInChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-NInChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)Synonyms: Bio1_000150 | HMS3402I11 | Eicosatetraynoic acid | HMS1989I11 | HMS1361I11 | NCGC00021784-05 | MLS000069514 | NCGC000...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: L-glutamic acid|GLUTAMIC ACID|56-86-0|L-glutamate|(2S)-2-Aminopentanedioic acid|(S)-2-Aminopentanedioic acid|Glutamid...
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L-O-Phosphoserine, Agonist of mGlu 4 receptor;Agonist of mGlu 6 receptor;Agonist of mGlu 7 receptor;Agonist of mGlu 8 receptorCas#: 407-41-0 Compound CID: 68841Formula: C3H8NO6P Molecular Weight: 185.07IUPAC Name: (2S)-2-amino-3-phosphonooxypropanoic acidSMILES: C(C(C(=O)O)N)OP(=O)(O)OInChIKey: BZQFBWGGLXLEPQ-REOHCLBHSA-NInChI: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1Synonyms: O-phospho-L-serine|Dexfosfoserine|407-41-0|phosphoserine|L-O-Phosphoserine|Fosforina|L-SOP|O-Phosphoserine|L-Phosphos...
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24(S),25-epoxycholesterol, Agonist of Liver X receptor-α;Agonist of Liver X receptor-βCas#: 77058-74-3 Compound CID: 3247059Formula: C27H44O2 Molecular Weight: 400.64IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olSMILES: CC(CCC1C(O1)(C)C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)CInChIKey: OSENKJZWYQXHBN-XVYZBDJZSA-NInChI: InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1Synonyms: 24(S),25-Epoxycholesterol|77058-74-3|24,25-epoxy-cholesterol|24(S), 25-epoxycholesterol|24S,25-epoxy-cholesterol|24S,...
