Butyryl-coenzyme A

Molecular Formula: C₂₅H₄₂N₇O₁₇P₃S

InChI: InChI=1/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1/f/h27-28,38-39,41,43H,26H2

InChIKey: InChIKey=CRFNGMNYKDXRTN-INTNGWMXDZ
SMILES: CCCC(=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:
    Butanoyl-CoA
    butanoyl-CoA
    Butanoyl-CoA
    Butyryl-CoA
    Butyryl-coa
    butyryl-CoA
    Butyryl-coenzyme A
    Coenzyme A, S-butanoate
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-(2-butanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 122283
    ChEBI 15517
    Kegg C00136
    PubChem ID 10240007
    PubChem ID 3436
    UM-BBD c0023