Chemical Compound

acetoacetyl-CoA

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acetoacetyl-CoA chemical structure
Primary Record

acetoacetyl-CoA

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
135392427
SMILES
[Li+].[Li+].[Li+].[Li+].CC(=O)CC(=O)SCCN=C(CCN=C(C(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)[O-])[O-]
Canonical SMILES
CC(=O)CC(=O)SCCN=C([O-])CCN=C([O-])C(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-].[Li+].[Li+].[Li+].[Li+]

Names & Synonyms

  • acetoacetyl-CoA
  • Acetoacetylcoenzyme A
  • Acetoacetyl coenzyme A lithium salt
  • NA48994
  • N0001-006621
  • N/A
  • tetralithium;4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethyl-N-[3-oxido-3-[2-(3-oxobutanoylsulfanyl)ethylimino]propyl]butanimidate