Metabolites

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  1. Adenosine triphosphate, Agonist of GPR17;Activator of IP 3R1;Activator of K ir6.1;Gating inhibitor of K ir6.1;Gating inhibitor of K ir6.2;Gating inhibitor of K Na1.2;Agonist of P2X1;Agonist of P2X2;Agonist of P2X3;Agonist of P2X4;Agonist of P2X5;Agonist of P2X6;Agonist of P2X7;A
    Cas#: 56-65-5        Compound CID:  5957
    Formula:  C10H16N5O13P3        Molecular Weight: 507.18
    IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
    InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
    InChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    Synonyms: Adetol | BDBM50366480 | Triphosadenine (DCF) | Triphosphoric acid adenosine ester | 9-beta-D-Arabinofuranosyladenine ...
  2. 5α-Androst-16-en-3α-ol, Antagonist of Constitutive androstane receptor
    Cas#: 1153-51-1        Compound CID:  101989
    Formula:  C19H30O        Molecular Weight: 274.44
    IUPAC Name: (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    SMILES: CC12CCC3C(C1CC=C2)CCC4C3(CCC(C4)O)C
    InChIKey: KRVXMNNRSSQZJP-PHFHYRSDSA-N
    InChI: InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
    Synonyms: (3a,5a)-Androst-16-en-3-ol | AKOS022350563 | 5 | Pitrex cream | D06200 | 3.alpha.-Hydroxyandrost-16-ene | A-ol | (3R,...
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