1420-36-6

1420-36-6 structure

Name: S-Acetoacetylcoenzyme a
Chemical Name: acetoacetyl-CoA
CAS Number: 1420-36-6
Molecular Formula: C₂₅H₄₀N₇O₁₈P₃S
Molecular Weight: 851.61
Create Date: 2017-01-26 18:34:50
Modify Date: 2026-07-01 17:57:33
Acetoacetyl CoA is the precursor of HMG-CoA in the mevalonate pathway. Acetoacetyl-CoA thiolase catalyzes the reaction to form acetoacetyl-CoA from two acetyl-CoA molecules. Acetoacetyl CoA is essential for cholesterol biosynthesis. Acetoacetyl-CoA is also a intermediate in the biological breakdown and synthesis of fatty acids[1][2][3].

Name	acetoacetyl-CoA
Synonyms	Coenzyme A S-(3-oxobutanoate) Acetoacetyl-CoA S-acetoacetylcoenzyme A 5'-O-[[[(5,9-Diaza-3-hydroxy-2,2-dimethyl-4,8,13,15-tetraoxo-12-thiahexadecan)-1-yl]phosphono]phosphono]adenosine-3'-phosphoric acid Coenzyme A Impurity 2 （S-Acetoacetate Coenzyme A)(Acetoacetyl-CoA) [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-[2-(3-oxobutanoylsulfanyl)ethylcbamoyl]ethylcbamoyl]propoxy]-phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Description	Acetoacetyl CoA is the precursor of HMG-CoA in the mevalonate pathway. Acetoacetyl-CoA thiolase catalyzes the reaction to form acetoacetyl-CoA from two acetyl-CoA molecules. Acetoacetyl CoA is essential for cholesterol biosynthesis. Acetoacetyl-CoA is also a intermediate in the biological breakdown and synthesis of fatty acids[1][2][3].
Related Catalog	Research Areas >> Metabolic Disease
Target	Human Endogenous Metabolite
In Vitro	The purified recombinant Msed_0389 and Msed_1423 catalyze the NAD-dependent oxidation of (S)-3-hydroxybutyryl-CoA to Acetoacetyl-CoA and are highly specific for their substrate (Km of 2.6 μM and 5 μM, respectively)[2]. The homologous bifunctional protein is the only enzyme capable to covert crotonyl-CoA into Acetoacetyl-CoA in autotrophic Desulfurococcales (Ignicoccus hospitalis) and Thermoproteales (Pyrobaculum neutrophilus) that use the dicarboxylate/4-hydroxybutyrate cycle for CO2 fixation[2].
References	[1]. Miziorko HM. Enzymes of the mevalonate pathway of isoprenoid biosynthesis. Arch Biochem Biophys. 2011 Jan 15;505(2):131-43. [2]. Liu L, et al. Enzymes Catalyzing Crotonyl-CoA Conversion to Acetoacetyl-CoA During the Autotrophic CO2 Fixation in Metallosphaera sedula. Front Microbiol. 2020 Mar 11;11:354. [3]. Feodor Lynen, et al. Enzymes of fatty acid metabolism. Biochimica et Biophysica Acta. Volume 12, Issues 1-2, October 1953, Pages 299-314.

Precursor 0
DownStream 2
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