Chemical Compound

Caffeoyl-coenzyme A

CAS Registry Number 53034-79-0
Caffeoyl-coenzyme A chemical structure
Primary Record

Caffeoyl-coenzyme A

In stock
1,134 g
Purity
99.8 %
CAS
53034-79-0

Compound Identifiers & Properties

CAS
53034-79-0
PubChem CID
6119622
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C=C4)O)O)O
Canonical SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)/C=C/c1ccc(O)c(O)c1

Names & Synonyms

  • Caffeoyl-coenzyme A
  • Caffeoyl-coa
  • Caffeoyl-Coenzym A
  • Coenzyme A, caffeoyl-
  • RefChem:122666
  • AC1O1EJ3
  • CID6119622
  • 53034-79-0
  • DA-71866
  • Coenzyme A, S-(3-(3,4-dihydroxyphenyl)-2-propenoate)
  • S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enethioate
  • S-[2-[3-[[(2R)-4-[[[(2R,3R,5R)-5-(6-AMINOPURIN-9-YL)-4-HYDROXY-3-PHOSPHONOOXYOXOLAN-2-YL]METHOXY-HYDROXYPHOSPHORYL]OXY-HYDROXYPHOSPHORYL]OXY-2-HYDROXY-3,3-DIMETHYLBUTANOYL]AMINO]PROPANOYLAMINO]ETHYL] (E)-TETRADEC-11-ENETHIOATE