Chemical Compound

phenylacetyl-CoA

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phenylacetyl-CoA chemical structure
Primary Record

phenylacetyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
45266611
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)CC4=CC=CC=C4)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)Cc1ccccc1

Names & Synonyms

  • phenylacetyl-CoA
  • phenylacetate-CoA
  • phenylacetyl-CoA(4-)
  • CHEBI:57390
  • Q27124590
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}