Metabolites

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  1. Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase A
    Cas#: 60-92-4        Compound CID:  6076
    Formula:  C10H12N5O6P        Molecular Weight: 329.21
    IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
    SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
    InChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-N
    InChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
  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: AMY18102 | BDBM81975 | Oprea1_032085 | Tox21_500716 | HCZHHEIFKROPDY-UHFFFAOYSA- | LP00716 | KYA | 4-Hydroxy-2-quinol...
  3. 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|...
  4. 2-oleoyl-LPA, Agonist of GPR35;Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor
    IUPAC Name: {3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acid
    SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)CO
    InChIKey: ZOOLJLSXNRZLDH-KTKRTIGZSA-N
    InChI: InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
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