Chemical Compound

Caffeoyl-coa

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

Caffeoyl-coa

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

Compound Identifiers & Properties

CAS
53034-79-0
PubChem CID
139031130
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)NCCSC(=O)C=CC4=CC(=C(C=C4)O)O)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)NCCSC(=O)C=Cc1ccc(O)c(O)c1

Names & Synonyms

  • Caffeoyl-coa
  • Caffeoyl-Coenzym A
  • orb1941978
  • DTXSID601318040
  • NC183541
  • 53034-79-0
  • Q27098073
  • 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
  • S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-(3,4-dihydroxyphenyl)prop-2-enethioate