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102029-52-7

102029-52-7 Structure

102029-52-7 Structure
IdentificationBack Directory
[Name]

ACETOACETYL COENZYME A SODIUM SALT
[CAS]

102029-52-7
[Synonyms]

Acetyl-CoA oxidase
Acetoacetyl coenzyme A
ACETOACETYL COENZYME A SODIUM
ACETOACETYL COENZYME A SODIUM SALT
ACETOACETYL COENZYME A TRISODIUM SALT &
Acetoacetyl coenzyme A hydrate sodium salt
Acetoacetyl coenzyme A trisodium salt tetrahydrate
Coenzyme A,S-(3-oxobutanoate), tetrasodium salt (9CI)
coenzyme A acetoacetyl derivative trisodium salt hydrate
Acetoacetyl coenzyme A sodium salt hydrate,Acetoacetyl-CoANa3
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphate
risodium,[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]hydrogenphosphate
[Molecular Formula]

C25H37N7Na3O18P3S
[MDL Number]

MFCD00084766
[MOL File]

102029-52-7.mol
[Molecular Weight]

917.55
Chemical PropertiesBack Directory
[storage temp. ]

−20°C
[solubility ]

H2O: 50 mg/mL, clear, colorless to faintly yellow
Safety DataBack Directory
[WGK Germany ]

3
[F ]

10-21
Hazard InformationBack Directory
[Uses]

Acetoacetyl coenzyme A sodium is a central endogenous metabolite. The Km at pH 7.5 for Acetoacetyl coenzyme A sodium is 1.10 mM. Acetoacetyl coenzyme A sodium can be used for the synthesis of phosphotransbutyrylase (PTB) and poly-3-hydroxybutyrate (PHB)[1][2].
[IC 50]

Microbial Metabolite
[Purification Methods]

Purification can be carried out by passage through a DEAE-cellulose formate column, then through a Dowex 50 (H+) column to remove Na ions, concentrated by lyophilisation and redissolved in H2O. It is commercially available as a solution of 0.05g/mL of H2O. The concentration of acetoacetylcoenzyme A is determined by the method of Stern et al. [J Biol Chem 221 15 1956]. It is stable at pH 7-7.5 for several hours at 0o (half-life ca 1-2hours). At room temperature it is hydrolysed in ca 1-2hours at pH 7-7.5. At pH 1.0/20o it is more stable than at neutrality. A solution of the trisodium salt (0.05g/mL H2O) adjusted to pH 5 with 2N NaOH can be stored frozen for several weeks. It is stable at pH 2-3/-17o for at least 6 months. [Hersch & Jencks J Biol Chem 242 3468 1967, Clikenbeard et al. J Biol Chem 250 3108 1975, Simon & Shemin J Am Chem Soc 75 2520 1953, Moffatt & Khorana 81 1265 1959, Salem et al. Biochem J 258 563 1989, Beilstein 26 III/IV 3668.]
[References]

[1] Thompson DK, et al. Purification and properties of an acetoacetyl coenzyme A-reacting phosphotransbutyrylase from Clostridium beijerinckii ("Clostridium butylicum") NRRL B593. Appl Environ Microbiol. 1990 Mar;56(3):607-13. DOI:10.1128/aem.56.3.607-613.1990
[2] Chohan SN, et al. Acetoacetyl coenzyme A reductase and polyhydroxybutyrate synthesis in rhizobium (Cicer) sp. Strain CC 1192. Appl Environ Microbiol. 1998 Aug;64(8):2859-63. DOI:10.1128/AEM.64.8.2859-2863.1998
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