Analyte Name

Palmitoyldocosahexaenoyl Phosphatidylcholine-d9

Molecular Formula

C46 D9 H71 N O8 P

Molecular Weight

815.159

Accurate Mass

814.619

SMILES

[2H]C([2H])([2H])[N+](CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\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/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1/i3D3,4D3,5D3

IUPAC

[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] 2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate

Unlabelled CAS Number

59403-54-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat