Metabolites
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15-Deoxy-Delta12, Agonist of Peroxisome proliferator-activated receptor-γCas#: 87893-55-8 Compound CID: 5311211Formula: C20H28O3 Molecular Weight: 316.5IUPAC Name: (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acidSMILES: CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)OInChIKey: VHRUMKCAEVRUBK-GODQJPCRSA-NInChI: InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1Synonyms: 15-deoxy- delta 12,14-prostaglandin J2 | 15-Deoxy-DELTA(12,14)-PGJ2 | (5Z,12E,14E)-11-oxo-prosta-5,9,12,14-tetraen-1-...
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Prostaglandin A2, Activator of TRPA1Cas#: 13345-50-1 Compound CID: 5280880Formula: C20H30O4 Molecular Weight: 334.45IUPAC Name: (Z)-7-[(1R,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acidSMILES: CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)OInChIKey: MYHXHCUNDDAEOZ-FOSBLDSVSA-NInChI: InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1Synonyms: SMR000058790 | DINOPROSTONE IMPURITY, (5Z,13E,15S)-15-HYDROXY-9-OXOPROSTA-5, 10,13-TRIENE-1-OIC ACID- [USP IMPURITY] ...
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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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4-Oxo-2-nonenal (4-ONE), Activator of TRPA1Cas#: 103560-62-9Formula: C9H14O2 Molecular Weight: 154.21IUPAC Name: (E)-4-oxonon-2-enalSMILES: CCCCCC(=O)C=CC=OInChIKey: SEPPVOUBHWNCAW-FNORWQNLSA-NInChI: InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+Synonyms: GTPL6283 | 3,5-dihydroxy-4-methylphenol | BDBM50318492 | 2-Nonenal, 4-oxo- | DTXSID701032845 | HY-114524 | 4-one | SE...
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1-Chloro-2,2,2-trifluoroethyl Difluoromethyl Ether, Potassium channel subfamily K member 2 openerCas#: 26675-46-7 Compound CID: 3763Formula: C3H2ClF5O Molecular Weight: 184.49IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethaneSMILES: C(C(F)(F)F)(OC(F)F)ClInChIKey: PIWKPBJCKXDKJR-UHFFFAOYSA-NInChI: InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2HSynonyms: BBL100111 | SY050218 | A818554 | CAS-26675-46-7 | Isoflurano [INN-Spanish] | IsoSol | STL454337 | TerrellHSDB 8057 | ...
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4-Hydroxynonenal, Activator of TRPA1Cas#: 75899-68-2 Compound CID: 5283344Formula: C9H16O2 Molecular Weight: 156.22IUPAC Name: (E)-4-hydroxynon-2-enalSMILES: CCCCCC(C=CC=O)OInChIKey: JVJFIQYAHPMBBX-FNORWQNLSA-NInChI: InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+Synonyms: HY-113466 | UNII-K1CVM13F96 | CCRIS 6927 | (+/-)4-HYDROXYNON-2-ENAL | (2E)-4-hydroxynon-2-enal | NCGC00161254-01 | 4-...
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Cervonic Acid, Agonist of FFA1 receptor;Activator of K 2P10.1;Agonist of Retinoid X receptor-α;Activator of TRPA1Cas#: 6217-54-5 Compound CID: 445580Formula: C22H32O2 Molecular Weight: 328.49IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acidSMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OInChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-NInChI: InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-Synonyms: Docosahexaenoic acid|Doconexent|Cervonic acid|6217-54-5|cis-4,7,10,13,16,19-Docosahexaenoic acid|Docosahexaenoate|Doc...
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Cervonic Acid（DHA）, Agonist of FFA1 receptor;Activator of K 2P10.1;Agonist of Retinoid X receptor-α;Activator of TRPA1Cas#: 6217-54-5 Compound CID: 445580Formula: C22H32O2 Molecular Weight: 328.49IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acidSMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OInChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-NInChI: InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-Synonyms: DHA | AB01563379_01 | 4,7,10,13,16,19-Docosahexaenoate | 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid...
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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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Resolvin D1, Agonist of FPR2/ALX;Agonist of GPR32;Gating inhibitor of TRPA1Cas#: 872993-05-0 Compound CID: 53394122Formula: C22H32O5 Molecular Weight: 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)Synonyms: 17(R)-Resolvin D1 | SB48260 | RvD1 | Resolvin D1 | 7,8,17-TRIHYDROXYDOCOSA-4,9,11,13,15,19-HEXAENOIC ACID | 17(R)-RvD...
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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 ...
