Acetoacetyl-Coenzyme A (sodium salt hydrate)

Acetoacetyl-coenzyme A (acetoacetyl-CoA) is a precursor to HMG-CoA in the isoprenoid pathway. 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. Acetoacetyl-CoA is also an intermediate in the microbial biosynthesis of polyhydroxybutyrate.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: PBS (pH 7.2): 10 mg/ml. lambdamax: 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.