Chemical Compound

(E)-caffeoyl-CoA

(E)-caffeoyl-CoA chemical structure
Primary Record

(E)-caffeoyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
45266599
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=C/C4=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=C/c1ccc(O)c(O)c1

Names & Synonyms

  • (E)-caffeoyl-CoA
  • trans-caffeoyl-CoA
  • caffeoyl-CoA(4-)
  • trans-caffeoyl-CoA(4-)
  • 3,4-dihydroxyacryloyl-CoA
  • (E)-caffeoyl-CoA(4-)
  • trans-caffeoyl-coenzyme A(4-)
  • (E)-caffeoyl-coenzyme A(4-)
  • CHEBI:57372
  • CHEBI:87136
  • (E)-3,4-dihydroxycinnamoyl-CoA(4-)
  • trans-3,4-dihydroxycinnamoyl-CoA(4-)
  • (E)-3,4-dihydroxycinnamoyl-coenzyme A(4-)
  • trans-3,4-dihydroxycinnamoyl-coenzyme A(4-)
  • Q27159393
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}