Chemical Compound

RefChem:90614

CAS Registry Number 2759151-51-2
RefChem:90614 chemical structure
Primary Record

RefChem:90614

In stock
807 g
Purity
98.6 %
CAS
2759151-51-2

Compound Identifiers & Properties

CAS
2759151-51-2
PubChem CID
90658757
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)O)O
Canonical SMILES
C[C@H](C(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

Names & Synonyms

  • RefChem:90614
  • 3,22-dioxochol-4-en-24-oyl-CoA
  • CHEBI:86293
  • orb3022229
  • 3,22-diketochol-4-en-24-oyl-CoA
  • 3,22-dioxochol-4-en-24-oyl-coenzyme A
  • 3,22-diketochol-4-en-24-oyl-coenzyme A
  • C23016
  • Q27159057
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,22-dioxochol-4-en-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
  • 2759151-51-2
  • 3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-((3,22-dioxochol-4-en-24-oyl)sulfanyl)ethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)