3-Hydroxyvalproic acid CoA (Q1982)

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chemical compound
Language Label Description Also known as
English
3-Hydroxyvalproic acid CoA
chemical compound

    Statements

    SMILES
    CCCC(C(O)CC)C(=O)SCCN=C(O)CCN=C(O)[C@@H](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
    C₂₉H₅₀N₇O₁₈P₃S
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C29H50N7O18P3S/c1-5-7-16(17(37)6-2)28(42)58-11-10-31-19(38)8-9-32-26(41)23(40)29(3,4)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)36-15-35-20-24(30)33-14-34-25(20)36/h14-18,21-23,27,37,39-40H,5-13H2,1-4H3,(H,31,38)(H,32,41)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t16?,17?,18-,21-,22-,23+,27-/m0/s1
    1 reference
    based on heuristic
    inferred from SMILES
     
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