Chemical Compound

CHEBI:58801

CHEBI:58801 chemical structure
Primary Record

CHEBI:58801

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
46224558
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)C4=CC(CC=C4)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)C1=CC(O)CC=C1

Names & Synonyms

  • CHEBI:58801
  • 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA
  • 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA(4-)
  • Q27126067
  • 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA tetraanion
  • 3-hydroxycyclohexa-1,5-diene-1-carbonyl-coenzyme A(4-)
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxycyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}