Metabolites
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RepSoxCas#: 446859-33-2 Compound CID: 449054Formula: C17H13N5 Molecular Weight: 287.32IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridineSMILES: CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-NInChI: InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)Synonyms: ALK5 Inhibitor II | 2-(3-(6-methyl-2-pyridinyl)-1h-pyrazol-4-yl)-1,5-naphthyridine | DTXSID80332295 | AKOS016009677 |...
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15(S)-HETE, Agonist of BLT 2 receptorCas#: 54845-95-3Formula: C20H32O3 Molecular Weight: 320.47IUPAC Name: (5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acidSMILES: CCCCCC(C=CC=CCC=CCC=CCCCC(=O)O)OInChIKey: JSFATNQSLKRBCI-VAEKSGALSA-NInChI: InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1Synonyms: HMS1361C19 | Icomucret | (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate | NCGC00161242-03 | 15-Hete | 15(S)-H...
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12(S)-HETE, Agonist of BLT 2 receptor;Agonist of GPR31Cas#: 54397-83-0 Compound CID: 5283155Formula: C20H32O3 Molecular Weight: 320.47IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-NInChI: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1Synonyms: (E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,1...
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12-epi Leukotriene B4, Agonist of BLT 2 receptorCas#: 83709-73-3 Compound CID: 5283130Formula: C20H32O4 Molecular Weight: 336.5IUPAC Name: (5S,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acidSMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)OInChIKey: VNYSSYRCGWBHLG-CBBLYLIKSA-NInChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19+/m0/s1Synonyms: 12(S)-Leukotriene B4 | AKOS040756146 | 5(S),12(S)-Dihydroxyeicosatetraenoate | 12-Epi leukotriene B4 | 6,8,10,14-Eico...
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cholest-5-ene-3,25-diol, Agonist of GPR183;Agonist of RAR-related orphan receptor-γCas#: 2140-46-7 Compound CID: 65094Formula: C27H46O2 Molecular Weight: 402.653IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-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)(C)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)CInChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-NInChI: InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec...
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12(S)-Hydroxy-(5Z,8E,10E)-heptadecatrienoic acidCas#: 54397-84-1 Compound CID: 5283141Formula: C17H28O3 Molecular Weight: 280.4IUPAC Name: (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acidSMILES: CCCCCC(C=CC=CCC=CCCCC(=O)O)OInChIKey: KUKJHGXXZWHSBG-WBGSEQOASA-NInChI: InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5-,8-6+,14-11+/t16-/m0/s1Synonyms: 12-hydroxyheptadecatrienoic acid | LMFA03050002 | 12S-hydroxy-5Z,8E,10E-heptadecatrienoic acid | HY-113330 | 12-Hht |...
