Endogenous Metabolite
选项
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植酸溶液分子式: C6H18O24P6 分子量: 660.04IUPAC Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphateSMILES: OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=OInChIKey: IMQLKJBTEOYOSI-UHFFFAOYSA-NInChI: InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
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邻苯二甲酸二辛酯(DOP)分子式: C24H38O4 分子量: 390.56IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylateSMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCCInChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-NInChI: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
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15(S)-HETE,花生四烯酸的代谢产物CAS号 : 54845-95-3分子式: C20H32O3 分子量: 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/s1
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5(S)-HETE-d8CAS号 : 330796-62-8 Compound CID : 5283153分子式: C20H24D8O3 分子量: 328.52IUPAC Name: (5S,6E,8Z,11Z,14Z)-5,6,8,9,11,12,14,15-octadeuterio-5-hydroxyicosa-6,8,11,14-tetraenoic acidSMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OInChIKey: KGIJOOYOSFUGPC-IWMWOOIASA-NInChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1/i6D,7D,9D,10D,12D,13D,16D,19D
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9-氧代氧化物CAS号 : 54232-59-6 Compound CID : 9839084分子式: C18H30O3 分子量: 294.4IUPAC Name: (10E,12Z)-9-oxooctadeca-10,12-dienoic acidSMILES: CCCCCC=CC=CC(=O)CCCCCCCC(=O)OInChIKey: LUZSWWYKKLTDHU-ZJHFMPGASA-NInChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
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Resolvin D1CAS号 : 872993-05-0 Compound CID : 53394122分子式: C22H32O5 分子量: 376.5IUPAC Name: 7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acidSMILES: CCC=CCC(C=CC=CC=CC=CC(C(CC=CCCC(=O)O)O)O)OInChIKey: OIWTWACQMDFHJG-UHFFFAOYSA-NInChI: InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)