Products 799813-02-8

CAS 799813-02-8 appears in our catalog under these names: hexacosanoyl Coenzyme A (ammonium salt), 26:0 COENZYME A, hexacosanoyl Coenzyme A (ammonium salt), 26:0 Coenzyme A, 99.0%. Offered by: GLPBio, Sigma-Aldrich, Chemat, MedChemExpress. Available pack sizes: 1mg, 5MG, 5 mg, 1 mg.

Structural formula: {0} (CAS {1})

Triazanium;[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexacosanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate (CAS 799813-02-8) is a chemical compound with the molecular formula C47H95N10O17P3S and a molecular weight of 1197.3 g/mol. IUPAC name: triazanium;[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexacosanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate. InChIKey: XKPNJROJQZVENY-UHFFFAOYSA-N.

Identity
Molecular formulaC47H95N10O17P3S
Molecular weight1197.3 g/mol
IUPAC nametriazanium;[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-(2-hexacosanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate
InChIKeyXKPNJROJQZVENY-UHFFFAOYSA-N
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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.[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)