Chemical Compound

3-Oxopimeloyl-CoA

CAS Registry Number 1245946-51-3
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3-Oxopimeloyl-CoA chemical structure
Primary Record

3-Oxopimeloyl-CoA

In stock
899 g
Purity
98.8 %
CAS
1245946-51-3

Compound Identifiers & Properties

CAS
1245946-51-3
PubChem CID
9543029
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)CC(=O)CCCC(=O)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)CC(=O)CCCC(=O)O

Names & Synonyms

  • 3-Oxopimeloyl-CoA
  • 3-Ketopimelyl-CoA
  • SCHEMBL285428
  • orb3022177
  • 3-oxo-7-carboxy-heptanoyl-CoA
  • CHEBI:15492
  • LMFA07050251
  • CID9543029
  • C06715
  • CHEBI:15492; (Acyl-CoA); [M+H]+;
  • Q27089475
  • 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
  • 1245946-51-3
  • 7-[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]ethylsulfanyl]-5,7-dioxoheptanoic acid