4-Acetamidobutanoyl-CoA

Molecular Formula: C₂₇H₄₅N₈O₁₈P₃S

InChI: InChI=1/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24(19)35/h13-14,16,20-22,26,39-40H,4-12H2,1-3H3,(H,29,36)(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,28,32,33)(H2,42,43,44)/t16-,20-,21-,22+,26-/m1/s1/f/h29-31,42-43,45,47H,28H2

InChIKey: InChIKey=UEKGDRAHBCQADD-KKCAQHFNDZ
SMILES: CC(=O)NCCCC(=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:28684
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl
    4-Acetamidobutanoyl-CoA
    4-acetamidobutanoyl-CoA
    4-Acetamidobutanoyl-CoA
    4-acetamidobutanoyl-CoA
    [(2R,3S,4R,5R)-2-[[[[(3R)-3-[2-[2-(4-acetamidobutanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 194623
    ChEBI 28684
    Kegg C03357
    PubChem ID 17425124
    PubChem ID 6196