coenzyme A

Coenzyme A

[1. A coenzyme containing pantothenic acid, adenosine 3′-phosphate 5′-pyrophosphate, and cysteamine; involved in the transfer of acyl groups, notably in transacetylations.

Molecular Formula: C₂₁H₃₅N₇O₁₆P₃S^-

InChI: InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-1/t11-,14-,15-,16-,20-/m1/s1/fC21H35N7O16P3S/h23-24,33,36,38H,22H2/q-1

InChIKey: InChIKey=RGJOEKWQDUBAIZ-NISLRZMFDS
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O

Names:
    coenzyme A
    nchembio856-comp12
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(hydroxy-oxido-phosphoryl)oxy-oxolan-2-yl]methoxy-[hydroxy-[(3S)-3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphinic acid

Registries:
    PubChem CID 11966098
    PubChem ID 17424991