Products 852060-66-3

CAS 852060-66-3 appears in our catalog under these names: 18:1(N7) COENZYME A, (11Z-octadecenoyl) Coenzyme A (ammonium salt), (11Z-Octadecenoyl)-CoA (triammonium). Offered by: Sigma-Aldrich, Chemat, MedChemExpress. Available pack sizes: 5MG, 1 mg.

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

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-11-enethioate;azane (CAS 852060-66-3) is a chemical compound with the molecular formula C39H77N10O17P3S and a molecular weight of 1083.1 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-11-enethioate;azane. InChIKey: RHSWTCMGLCWEKJ-PIPRWYFSSA-N.

Identity
Molecular formulaC39H77N10O17P3S
Molecular weight1083.1 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-11-enethioate;azane
InChIKeyRHSWTCMGLCWEKJ-PIPRWYFSSA-N
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)SCCNC(=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.N.N.N

Computed by PubChem (NCBI)