Metabolites
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Ethinyl Estradiol, Estrogen receptor alpha agonistCas#: 57-63-6 Compound CID: 5991Formula: C20H24O2 Molecular Weight: 296.4IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OInChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-NInChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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Adenosine 5′-diphosphate, Agonist of P2Y 11 receptor;Agonist of P2Y 12 receptor;Agonist of P2Y 13 receptor;Agonist of P2Y 1 receptor;Agonist of P2Y 6 receptor;Gating inhibitor of TRPM4Cas#: 58-64-0 Compound CID: 6022Formula: C10H15N5O10P2 Molecular Weight: 427.2IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateSMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3OInChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-NInChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Synonyms: Adenosine 5'-(trihydrogen diphosphate) | 5'-Adenylphosphoric acid | ADP | Adenosindiphosphorsaeure | ADP (nucleotide)...
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Adenosine 5′-diphosphate, Agonist of P2Y 11 receptor;Agonist of P2Y 12 receptor;Agonist of P2Y 13 receptor;Agonist of P2Y 1 receptor;Agonist of P2Y 6 receptor;Gating inhibitor of TRPM4Cas#: 58-64-0 Compound CID: 6022Formula: C10H15N5O10P2 Molecular Weight: 427.2IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateSMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3OInChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-NInChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Synonyms: Adenosine 5'-diphosphate|Adenosine diphosphate|58-64-0|adenosine-5'-diphosphate|ADP|Adenosine 5'-(trihydrogen diphosp...
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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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UDP, Agonist of GPR17;Activator of K ir6.1;Agonist of P2Y 14 receptor;Agonist of P2Y 6 receptorCas#: 58-98-0 Compound CID: 6031IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateSMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=OInChIKey: XCCTYIAWTASOJW-XVFCMESISA-NInChI: InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1Synonyms: Uridine 5'-diphosphate|URIDINE DIPHOSPHATE|58-98-0|uridine-5'-diphosphate|Uridine 5'-(trihydrogen diphosphate)|UDP|5'...
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Up₃U, Agonist of P2Y 6 receptorIUPAC Name: [[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphateSMILES: O[C@@H]1[C@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H](C([C@H]2O)O)n2ccc(=O)[nH]c2=O)[O-])[O-])[O-])O[C@H](C1O)n1ccc(=O)[nH]c1=OInChIKey: JPNWHMPVXHYIKN-VRXVDWQRSA-KInChI: InChI=1S/C18H25N4O20P3/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30)/p-3/t7-,8+,11+,12-,13?,14?,15-,16-/m1/s1
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arachidonyl-2-chloroethylamide, Agonist of CB 1 receptorIUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamideSMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCClInChIKey: SCJNCDSAIRBRIA-DOFZRALJSA-NInChI: InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-Synonyms: SR-01000946682 | GLXC-27067 | HMS3649N11 | AKOS024456526 | GTPL738 | (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ...
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farnesyl diphosphate, Agonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor;Activator of TRPV3Cas#: 13058-04-3 Compound CID: 11132720IUPAC Name: phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphateSMILES: C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/CInChIKey: VWFJDQUYCIWHTN-FBXUGWQNSA-NInChI: InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
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farnesyl monophosphate, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptorIUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphateSMILES: C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)CInChIKey: ALEWCKXBHSDCCT-FBXUGWQNSA-NInChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-Synonyms: SCHEMBL2506806 | FFT | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate | GTPL2911 | Farnesyl mon...
