Acetoacetyl-CoA

• Formula: C₂₅H₄₀N₇O₁₈P₃S

• MW: 851.62

• SMILES String: CC(=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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

• Synonyms: 3-acetoacetyl-CoA; 3-ketobutanoyl-CoA; 3-ketobutyroyl-CoA; 3-oxobutanoyl-CoA; 3-oxobutyroyl-CoA; Acetoacetyl coenzyme A

• CAS Reg. 1420-36-6

• PubChem Substance Entry

• EAWAG-BBD reactions whose product is Acetoacetyl-CoA
  • (3S)-3-Hydroxybutyryl-CoA -----> Acetoacetyl-CoA (reacID# r0202)

• EAWAG-BBD reactions whose substrate is Acetoacetyl-CoA
  • Acetoacetyl-CoA + Coenzyme A -----> Acetyl-CoA (reacID# r0201)

Page Author(s): Dong Jun Oh
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c0229.
It was generated on April 22, 2026 at 10:20:13 AM CDT.

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