A precursor to HMG-CoA
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Acetoacetyl-Coenzyme A (sodium salt hydrate)

Item No. 21219

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
S-(3-oxobutanoate) coenzyme A, trisodium salt, tetrahydrate
Synonyms
  • Acetoacetyl-CoA
Molecular Formula
C25H37N7O18P3S • 3Na [4H2O]
Formula Weight
989.6
Formulation (Request formulation change)
A solid
Solubility(Learn about Variance in Solubility)
PBS (pH 7.2): 10 mg/ml
λmax
257 nm
SMILES
O[C@H]1[C@H](N2C=NC3=C2N=CN=C3N)O[C@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(CC(C)=O)=O)=O)=O)([O-])=O)([O-])=O)[C@H]1OP(O)([O-])=O.[Na+].[Na+].[Na+].O.O.O.O
InChi Code
InChI=1S/C25H40N7O18P3S.3Na.4H2O/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;;;;;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34
InChi Key
NYWXCANLDZAEET-QFNCGRSXSA-K
Shipping & Storage Information
Storage
-20°C
Shipping
Wet ice in continental US; may vary elsewhere
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    1 mg

    $83

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    5 mg

    $186

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    10 mg

    $330

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    25 mg

    $722

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    Product Description

    Acetoacetyl-coenzyme A (acetoacetyl-CoA) is a precursor to HMG-CoA in the isoprenoid pathway.1,2 It is reversibly converted to acetyl-CoA by acetoacetyl-CoA thiolase in the mitochondria. Acetoacetyl-CoA thiolase (T2) deficiency results in a build-up of ketone bodies leading to intermittent ketoacidosis.3,4 Acetoacetyl-CoA is also an intermediate in the microbial biosynthesis of polyhydroxybutyrate.5

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Lynen, F., and Ochoa, S. Enzymes of fatty acid metabolism. Biochim. Biophys. Acta 12(1-2), 299-314 (1953).

    2. Miziorko, H.M. Enzymes of the mevalonate pathway of isoprenoid biosynthesis. Arch. Biochem. Biophys. 505(2), 131-143 (2011).

    3. Daum, R.S., Scriver, C.R., Mamer, O.A., et al. An inherited disorder of isoleucine catabolism causing accumulation of alpha-methylacetoacetate and alpha-methyl-beta -hydroxybutyrate, and intermittent metabolic acidosis. Pediatr. Res. 7(3), 149-160 (1973).

    4. Fukao, T., Scriver, C.R., and Kondo, N. The clinical phenotype and outcome of mitochondrial acetoacetyl-CoA thiolase deficiency (β-ketothiolase or T2 deficiency) in 26 enzymatically proved and mutation-defined patients. Mol. Genet. Metab. 72(2), 109-114 (2001).

    5. Jacquel, N., Lo, C.-W., Wei, Y.-H., et al. Isolation and purification of bacterial poly(3-hydroxyalkanoates). Biochem. Eng. J. 39(1), 15-27 (2008).