Metabolites
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Arachidonylethanolamide（AEA）, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3;Agonist of CB 1 receptor;Agonist of CB 2 receptor;Allosteric modulator of glycine receptor α1 subunit;Agonist of GPR18;Agonist of GPR55;Channel blocker of K 2P3.1;Inhibitor oCas#: 94421-68-8Formula: C22H37NO2 Molecular Weight: 347.543IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamideSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOInChIKey: LGEQQWMQCRIYKG-DOFZRALJSA-NInChI: InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-Synonyms: AEA | [14C]Anandamide | AEA-D8 | NAE(20:4) | NCGC00161195-05 | 5,8,11,14-Eicosatetraenamide, N-(2-hydroxyethyl)-, (al...
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ACPA (Arachidonylcyclopropylamide), Agonist of CB 1 receptor;Agonist of GPR18Cas#: 229021-64-1 Compound CID: 5311007Formula: C23H37NO Molecular Weight: 343.55IUPAC Name: (5Z,8Z,11Z,14Z)-N-cyclopropylicosa-5,8,11,14-tetraenamideSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1CC1InChIKey: GLGAUBPACOBAMV-DOFZRALJSA-NInChI: InChI=1S/C23H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-22-20-21-22/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-Synonyms: acpa | GTPL739 | arachidonylcyclopropylamide | HMS3649N09 | Q4783530 | N-(Cyclopropyl)-5Z,8Z,11Z,14Z-eicosatetraenami...
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KRN-633, Vascular endothelial growth factor receptor inhibitorCas#: 286370-15-8 Compound CID: 9549295Formula: C20H21ClN4O4 Molecular Weight: 416.87IUPAC Name: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylureaSMILES: CCCNC(=O)NC1=C(C=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)ClInChIKey: VPBYZLCHOKSGRX-UHFFFAOYSA-NInChI: InChI=1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)Synonyms: 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea | 1-(2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)ox...
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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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N-Arachidonylglycine (NAGly), Agonist of GPR18;Agonist of LPA 5 receptorCas#: 179113-91-8 Compound CID: 5283389Formula: C22H35NO3 Molecular Weight: 361.52IUPAC Name: 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acidSMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)OInChIKey: YLEARPUNMCCKMP-DOFZRALJSA-NInChI: InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-Synonyms: LP00074 | NAGly | NA-Gly | HMS1989I06 | N-((5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraen-1-yl)glycine | N-arachidonoy...
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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,...
