PubChemLite - 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate (C37H71O8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,42)/b18-17-/t35-/m1/s1

InChIKey

OPVZUEPSMJNLOM-QEJMHMKOSA-N

Compound name

[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	675.49593	267.4
[M+Na]+	697.47787	268.3
[M+NH4]+	692.52247	271.3
[M+K]+	713.45181	268.6
[M-H]-	673.48137	256.1
[M+Na-2H]-	695.46332	266.8
[M]+	674.48810	265.0
[M]-	674.48920	265.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

675.49593

267.4

[M+Na]+

697.47787

268.3

[M+NH4]+

692.52247

271.3

[M+K]+

713.45181

268.6

[M-H]-

673.48137

256.1

[M+Na-2H]-

695.46332

266.8

[M]+

674.48810

265.0

[M]-

674.48920

265.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe