beta-Hydroxybutyryl-coenzyme A

Molecular Formula: C₂₅H₄₂N₇O₁₈P₃S

InChI: InChI=1/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13?,14-,18-,19-,20+,24-/m1/s1/f/h27-28,39-40,42,44H,26H2

InChIKey: InChIKey=QHHKKMYHDBRONY-UEBPNBBRDP
SMILES: CC(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:
    beta-hydroxybutyryl-CoA
    beta-Hydroxybutyryl-coa
    beta-Hydroxybutyryl-coenzyme A
    CHEBI:37050
    Coenzyme A, S-(3-hydroxybutanoate)
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl
    3-hydroxybutanoyl-CoA
    3-Hydroxybutanoyl-CoA
    3-hydroxybutanoyl-CoA
    3-hydroxybutyryl-CoA
    3-Hydroxybutyryl-coa
    3-Hydroxybutyryl-coenzyme A
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-(3-hydroxybutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 644065
    ChEBI 37050
    Kegg C05116
    PubChem ID 17425098
    PubChem ID 7540