Metabolites

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  1. Ins(3,4,5,6)P₄, Channel blocker of CaCC
    Cas#: 112791-61-4        Compound CID:  121920
    IUPAC Name: [(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
    SMILES: O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)OP(=O)(O)O
    InChIKey: MRVYFOANPDTYBY-UZAAGFTCSA-N
    InChI: InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1
    Synonyms: DTXSID80920893 | (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | inos...
  2. tributyrin, Agonist of TAS2R14
    IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate
    SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
    InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N
    InChI: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
    Synonyms: propane-1,2,3-triyl tributanoate | Tox21_303991 | Butyric acid triester with glycerin | Tributin | BRN 1714746 | Glyc...
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