Analyte Name

Phosphatidylinositol (Soy) Sodium

CAS Number

383907-36-6

Molecular Formula

C43H78NaO13P

Molecular Weight

857.04

Accurate Mass

856.51

SMILES

O[C@H]1[C@H](OP(OC[C@@](OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)([H])COC(CCCCCCCCCCCCCCC)=O)(O[Na])=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C43H79O13P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52);/q;+1/p-1/b13-11-,18-17-;/t35-,38-,39-,40+,41-,42-,43-;/m1./s1

IUPAC

sodium (R)-2-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)-3-(palmitoyloxy)propyl ((1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl) phosphate

Alternate CAS Number

Parent Compound: 88542-99-8

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat