2,3-diene-Valproic acid-CoA (Q1992)

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chemical compound
Language Label Description Also known as
English
2,3-diene-Valproic acid-CoA
chemical compound

    Statements

    SMILES
    CC[CH]C(\C=C\C)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12
    0 references
    chemical formula
    C₂₉H₄₈N₇O₁₇P₃S
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C29H47N7O17P3S/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36/h5,7-8,15-18,21-23,27,38-39H,6,9-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/b7-5+/t17?,18-,21-,22-,23?,27-/m0/s1
    1 reference
    based on heuristic
    inferred from SMILES
     
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