Analyte Name

2-Docosahexaenoyl-d5-sn-glycero-3-phosphocholine

Molecular Formula

C30 D5 H45 N O7 P

Molecular Weight

572.725

Accurate Mass

572.364

SMILES

[2H]C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)38-29(27-32)28-37-39(34,35)36-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1/i1D3,5D2

IUPAC

[(2R)-3-hydroxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-21,21,22,22,22-pentadeuteriodocosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Unlabelled CAS Number

159407-32-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat