Chemical Compound

3-oxoicosanoyl-CoA

CAS Registry Number 88297-33-0
3-oxoicosanoyl-CoA chemical structure
Primary Record

3-oxoicosanoyl-CoA

In stock
2,436 g
Purity
99.5 %
CAS
88297-33-0

Compound Identifiers & Properties

CAS
88297-33-0
PubChem CID
25229571
SMILES
CCCCCCCCCCCCCCCCCC(=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
CCCCCCCCCCCCCCCCCC(=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

  • 3-oxoicosanoyl-CoA
  • 3-ketoicosanoyl-CoA
  • 3-oxoeicosanoyl-CoA
  • 3-ketoeicosanoyl-CoA
  • 3-keto-C20-CoA
  • 3-oxoicosanoyl-coenzyme A
  • 3-ketoicosanoyl-coenzyme A
  • 3-oxoeicosanoyl-coenzyme A
  • 3-ketoeicosanoyl-coenzyme A
  • CHEBI:52327
  • DTXSID501344862
  • LMFA07050243
  • 3-ketoicosanoyl-CoA; (Acyl-CoA); [M+H]+;
  • Q27123379
  • ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneicosanethioate
  • 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxoicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
  • 88297-33-0
  • OFN
  • S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-oxoicosanethioate