Analyte Name

Palmitoyleicosapentaenoyl Phosphatidylcholine-d9

Molecular Formula

C44 D9 H69 N O8 P

Molecular Weight

789.121

Accurate Mass

788.603

SMILES

[2H]C([2H])([2H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1/i3D3,4D3,5D3

IUPAC

[(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] 2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate

Unlabelled CAS Number

99296-77-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat