Chemical Compound

acetoacetyl-CoA

CAS Registry Number 1420-36-6
Back to search Request a Quote
acetoacetyl-CoA chemical structure
Primary Record

acetoacetyl-CoA

In stock
2,519 g
Purity
98.8 %
CAS
1420-36-6

Compound Identifiers & Properties

CAS
1420-36-6
PubChem CID
45266540
SMILES
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O
Canonical SMILES
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-]

Names & Synonyms

  • acetoacetyl-CoA
  • acetoacetyl-S-CoA
  • 3-acetoacetyl-CoA
  • acetoacetyl-CoA(4-)
  • acetoacetyl-CoA tetraanion
  • acetoacetyl-coenzyme A(4-)
  • CHEBI:57286
  • Q27124395
  • 1420-36-6
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}