ACO

[1. Condensation product of coenzyme A and acetic acid, symbolized as CoAS~COCH3 or as AcCoa; an intermediate in the transfer of two-carbon fragments, notably in the tricarboxylic acid cycle and in fatty acid synthesis.

Molecular Formula: C₂₃H₃₈N₇O₁₇P₃S

InChI: InChI=1/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1/f/h25-26,36-37,39,41H,24H2

InChIKey: InChIKey=ZSLZBFCDCINBPY-XZFIVJFQDF
SMILES: 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:
    Acetyl coenzyme A
    Acetyl-CoA
    acetyl-CoA
    ACO
    [(2R,3S,4R,5R)-2-[[[[(3R)-3-[2-(2-acetylsulfanylethylcarbamoyl)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 444493
    ChEBI 15351
    Kegg C00024
    PubChem ID 10318175
    PubChem ID 3326
    UM-BBD c0031