Products 2260670-62-8

CAS 2260670-62-8 appears in our catalog under these names: 18:1 Ether coenzyme A, (9Z-Octadecenyl)-CoA (triammonium). Offered by: Biosynth, Sigma-Aldrich, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, 5MG, 1 mg.

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

Triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CAS 2260670-62-8) is a chemical compound with the molecular formula C39H79N10O16P3S and a molecular weight of 1069.1 g/mol. IUPAC name: triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate. InChIKey: NKJGEJWYUPZQQY-ROTIMMBTSA-N.

Identity
Molecular formulaC39H79N10O16P3S
Molecular weight1069.1 g/mol
IUPAC nametriazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(Z)-octadec-9-enyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChIKeyNKJGEJWYUPZQQY-ROTIMMBTSA-N
SMILESCCCCCCCC/C=C\CCCCCCCCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)