Pentadecanoyl Coenzyme A Sodium Salt

Analyte Name

Pentadecanoyl Coenzyme A Sodium Salt

CAS Number

125527-28-8

Molecular Formula

C36H64N7O17P3S xNa

SMILES

NC1=NC=NC2=C1N=CN2[C@H]3C(C([C@H](O3)COP(OP(O)(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCC)=O)=O)=O)O)C)=O)(O)=O)OP(O)([O-])=O)O.[Na+]

InChI

InChI=1S/C36H64N7O17P3S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43;/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51);/q;+1/p-1/t25-,29?,30?,31+,35-;/m1./s1

IUPAC

sodium (2R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy((hydroxy((R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(pentadecanoylthio)ethyl)amino)propyl)amino)butoxy)phosphoryl)oxy)phosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphate

Alternate CAS Number

24870-39-1 free acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat