S-Acetoacetylcoenzyme a

Modify Date: 2025-08-22 06:42:10

S-Acetoacetylcoenzyme a structure	Common Name	S-Acetoacetylcoenzyme a
	CAS Number	1420-36-6	Molecular Weight	851.61
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₄₀N₇O₁₈P₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of S-Acetoacetylcoenzyme a

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
Synonym	More Synonyms

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.

Molecular Formula	C₂₅H₄₀N₇O₁₈P₃S
Molecular Weight	851.61
Exact Mass	851.13600
PSA	435.43000
LogP	0.00680
InChIKey	OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
Storage condition	20°C