Chemical Compound

coenzyme A

CAS Registry Number 85-61-0
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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
447444
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
  • CoenzymeA
  • Zeel
  • Depot-Zeel
  • Reduced CoA
  • L-coenzyme A
  • AC1L9KVC
  • UNII-SAA04E81UX
  • C21H36N7O16P3S
  • DTXSID601361720
  • ZINC8215426
  • EINECS 201-619-0
  • AC-922
  • CID447444
  • AKOS015961408
  • NCGC00167970-01
  • BC206679
  • C21-H36-N7-O16-P3-S
  • 85-61-0
  • CoA
  • COZ
  • [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3S)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] hydrogen phosphate
  • 31416-98-5