3-Hydroxyisovaleryl coenzyme A

Molecular Formula: C₂₆H₄₄N₇O₁₈P₃S

InChI: InChI=1/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/t14-,18-,19-,20+,24-/m1/s1/f/h28-29,40-41,43,45H,27H2

InChIKey: InChIKey=PEVZKILCBDEOBT-OKWBOVOGDE
SMILES: CC(C)(O)CC(=O)SCCNC(=O)CCNC(=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)n2cnc3c(N)ncnc23

Names:
    CHEBI:28291
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl
    3-Hydroxyisovaleryl coenzyme A
    3-Hydroxyisovaleryl-CoA
    3-hydroxyisovaleryl-CoA
    3-hydroxy-3-methylbutanoyl-CoA
    3-hydroxy-3-methylbutyryl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(3-hydroxy-3-methyl-butanoyl)sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966188
    ChEBI 28291
    Kegg C05998
    PubChem ID 17425058
    PubChem ID 8272