RefMet Compound Details

MW structure4428 (View MW Metabolite Database details)
RefMet nameAcetoacetyl-CoA
Alternative nameCoA 4:0;3oxo
Systematic nameAcetoacetyl-CoA
  Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass851.136349 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC25H40N7O18P3SView other entries in RefMet with this formula
InChIKeyOJFDKHTZOUZBOS-CITAKDKDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty esters
Sub ClassAcyl CoAs
Pubchem CID92153
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Acetoacetyl-CoA

Rxn IDKEGG ReactionEnzyme
R00410 Succinyl-CoA + Acetoacetate <=> Succinate + Acetoacetyl-CoAsuccinyl-CoA:acetoacetate CoA-transferase
R01358 Acetoacetyl-CoA + H2O <=> Acetoacetate + CoAacetoacetyl-CoA hydrolase
R01975 (S)-3-Hydroxybutanoyl-CoA + NAD+ <=> Acetoacetyl-CoA + NADH + H+(S)-3-Hydroxybutanoyl-CoA:NAD+ oxidoreductase
R01359 Acetoacetyl-CoA + Acetate <=> Acetoacetate + Acetyl-CoAacetoacetyl-CoA:acetate CoA-transferase
R00238 2 Acetyl-CoA <=> CoA + Acetoacetyl-CoAacetyl-CoA:acetyl-CoA C-acetyltransferase
R01976 (S)-3-Hydroxybutanoyl-CoA + NADP+ <=> Acetoacetyl-CoA + NADPH + H+(S)-3-Hydroxybutanoyl-CoA:NADP+ oxidoreductase
R01357 ATP + Acetoacetate + CoA <=> AMP + Diphosphate + Acetoacetyl-CoAAcetoacetate:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Acetoacetyl-CoA

Pathway IDHuman Pathway# of reactions
hsa00650 Butanoate metabolism 5
hsa00280 Valine, leucine and isoleucine degradation 4
hsa01100 Metabolic pathways 3
hsa00072 Synthesis and degradation of ketone bodies 3
hsa00071 Fatty acid degradation 2
hsa00310 Lysine degradation 2
hsa00380 Tryptophan metabolism 2
hsa00900 Terpenoid backbone biosynthesis 2
hsa01212 Fatty acid metabolism 2
hsa01200 Carbon metabolism 1
hsa00620 Pyruvate metabolism 1
hsa00640 Propanoate metabolism 1
hsa00630 Glyoxylate and dicarboxylate metabolism 1