propionyl-coenzyme A

[1. The coenzyme A thioester derivative of propionic acid; an intermediate in the degradation of l-valine, l-isoleucine, l-threonine, l-methionine, and odd-chain fatty acids; a precursor for the synthesis of odd-chain fatty acids; it accumulates in individuals with a deficiency of propionyl-CoA carboxylase.

Molecular Formula: C₂₄H₄₀N₇O₁₇P₃S

InChI: InChI=1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/f/h26-27,37-38,40,42H,25H2

InChIKey: InChIKey=QAQREVBBADEHPA-YTXOEQFUCN
SMILES: CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Names:
    propanoyl-CoA
    propionyl-CoA
    propionyl-coenzyme A
    317-66-8
    [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-propanoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 1033
    PubChem ID 3102