Metabolites

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  1. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: AMY18102 | BDBM81975 | Oprea1_032085 | Tox21_500716 | HCZHHEIFKROPDY-UHFFFAOYSA- | LP00716 | KYA | 4-Hydroxy-2-quinol...
  2. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: kynurenic acid|4-Hydroxyquinoline-2-carboxylic acid|492-27-3|13593-94-7|4-oxo-1,4-dihydroquinoline-2-carboxylic acid|...
  3. Acetylcholine, Agonist of M 1 receptor;Agonist of M 2 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor
    Cas#: 51-84-3        Compound CID:  187
    Formula:  C7H16NO2+        Molecular Weight: 146.21
    IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium
    SMILES: CC(=O)OCC[N+](C)(C)C
    InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N
    InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
    Synonyms: ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl | ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- | KBio1_000686 | C01996 | ...
  4. pregnenolone sulphate, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3
    Cas#: 1247-64-9        Compound CID:  105074
    IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
    SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C
    InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N
    InChI: InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1
    Synonyms: CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZX...
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