Chemical Compound

CHEBI:63458

CHEBI:63458 chemical structure
Primary Record

CHEBI:63458

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
46926193
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)CC45C=CC=CC4O5)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)CC12C=CC=CC1O2

Names & Synonyms

  • CHEBI:63458
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
  • 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA(4-)
  • 2-{7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl}acetyl-CoA
  • Q27132631
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(7-oxabicyclo[4.1.0]hepta-2,4-dien-1-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}