Analyte Name

Lignoceroyl Coenzyme A Sodium Salt

Molecular Formula

C45 H79 N7 Na3 O17 P3 S

Molecular Weight

1184.101

Accurate Mass

1183.416

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O[Na])OP(=O)(O[Na])OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O)(O)O[Na])n2cnc3c(N)ncnc23

InChI

InChI=1S/C45H82N7O17P3S.3Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52;;;/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60);;;/q;3*+1/p-3/t34-,38-,39-,40+,44-;;;/m1.../s1

IUPAC

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-tetracosanoylsulfanylethylamino)propyl]amino]butoxy]-sodiooxyphosphoryl]oxy-sodiooxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat