Chemical Compound

3-oxooctanedioyl-CoA

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3-oxooctanedioyl-CoA chemical structure
Primary Record

3-oxooctanedioyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
72193733
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)CCCCC(=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)CCCCC(=O)[O-]

Names & Synonyms

  • 3-oxooctanedioyl-CoA
  • 3-oxooctanedioyl-CoA(5-)
  • 3-ketooctanedioyl-CoA(5-)
  • CHEBI:76335
  • 3-oxooctanedioyl-coenzyme A(5-)
  • 3-ketooctanedioyl-coenzyme A(5-)
  • Q27145892
  • 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[7-carboxylato-3-oxoheptanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}