Products 799812-91-2

CAS 799812-91-2 appears in our catalog under these names: arachidoyl Coenzyme A (ammonium salt), Arachidoyl-CoA (triammonium), 20:0 coenzyme A. Offered by: Chemat, MedChemExpress, Sigma-Aldrich. Available pack sizes: 5mg, 1 mg, 5 mg.

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

Triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-(2-icosanoylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CAS 799812-91-2) is a chemical compound with the molecular formula C41H83N10O17P3S and a molecular weight of 1113.1 g/mol. IUPAC name: triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-(2-icosanoylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate. InChIKey: FCQFGWHSMZFGCX-LEEULGQNSA-N.

Identity
Molecular formulaC41H83N10O17P3S
Molecular weight1113.1 g/mol
IUPAC nametriazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-(2-icosanoylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChIKeyFCQFGWHSMZFGCX-LEEULGQNSA-N
SMILESCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)