beta-alanyl-CoA

Molecular Formula: C₂₄H₄₁N₈O₁₇P₃S

InChI: InChI=1/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1/f/h27-28,38-39,41,43H,26H2

InChIKey: InChIKey=RUWSXZUPLIXLGD-HWPFTYTHDW
SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCN

Names:
    beta-Alanyl-CoA
    beta-alanyl-CoA
    beta-Alanyl-CoA
    beta-alanyl-CoA
    CHEBI:15507
    β-alanyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminopropanoyl)sulfanyl]ethyl
    [(2R,3S,4R,5R)-2-[[[[(3R)-3-[2-[2-(3-aminopropanoylsulfanyl)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 11966133
    ChEBI 15507
    Kegg C02335
    PubChem ID 5385
    PubChem ID 8143254