Acetoacetyl coenzyme A (sodium)

cas: 102029-52-7 — see every product listed under this CAS number, including other names

Acetoacetyl coenzyme A (sodium) (CAS 102029-52-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas102029-52-7
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Structural formula: {0} (CAS {1})

Trisodium;[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] hydrogen phosphate (CAS 102029-52-7) is a chemical compound with the molecular formula C25H37N7Na3O18P3S and a molecular weight of 917.6 g/mol. IUPAC name: trisodium;[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] hydrogen phosphate. InChIKey: KJJYKBIEKQJXHM-UHFFFAOYSA-K.

Identity
Molecular formulaC25H37N7Na3O18P3S
Molecular weight917.6 g/mol
IUPAC nametrisodium;[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] hydrogen phosphate
InChIKeyKJJYKBIEKQJXHM-UHFFFAOYSA-K
SMILESCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

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