PubChemLite - 1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine (C37H70NO8P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35H,3-12,17-34,38H2,1-2H3,(H,41,42)/b15-13-,16-14-/t35-/m1/s1

InChIKey

PGPMCWZMPPZJML-NAFNZUQFSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-hexadec-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]+	688.49118	266.6
[M+Na]+	710.47312	270.5
[M+NH4]+	705.51772	271.5
[M+K]+	726.44706	270.3
[M-H]-	686.47662	258.4
[M+Na-2H]-	708.45857	267.4
[M]+	687.48335	265.7
[M]-	687.48445	265.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

688.49118

266.6

[M+Na]+

710.47312

270.5

[M+NH4]+

705.51772

271.5

[M+K]+

726.44706

270.3

[M-H]-

686.47662

258.4

[M+Na-2H]-

708.45857

267.4

[M]+

687.48335

265.7

[M]-

687.48445

265.7

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

1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe