Chemical Compound

coenzyme A

CAS Registry Number 85-61-0
coenzyme A chemical structure
Primary Record

coenzyme A

In stock
8,564 g
Purity
99.4 %
CAS
85-61-0

Compound Identifiers & Properties

CAS
85-61-0
PubChem CID
445126
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS

Names & Synonyms

  • coenzyme A
  • Reduced CoA
  • acetyl coenzyme *a
  • AC1L9HGX
  • CID445126
  • [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • 85-61-0
  • ACO
  • Adenosine 5'-(trihydrogen diphosphate) 3'-(dihydrogen phosphate) P'-[(R)-3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester
  • CoA