PubChemLite - Lpc(22:5) (C30H53NO7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,29,32H,5,8,11,14,17,20-28H2,1-4H3/p+1/b7-6-,10-9-,13-12-,16-15-,19-18-/t29-/m1/s1

InChIKey

BIEOSECQPGGZMF-NAIWXXGBSA-O

Compound name

2-[[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

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]+	571.36324	237.0
[M+Na]+	593.34518	241.9
[M+NH4]+	588.38978	208.8
[M+K]+	609.31912	249.9
[M-H]-	569.34868	232.4
[M+Na-2H]-	591.33063	229.7
[M]+	570.35541	238.4
[M]-	570.35651	238.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.36324

237.0

[M+Na]+

593.34518

241.9

[M+NH4]+

588.38978

208.8

[M+K]+

609.31912

249.9

[M-H]-

569.34868

232.4

[M+Na-2H]-

591.33063

229.7

[M]+

570.35541

238.4

[M]-

570.35651

238.4

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

Lpc(22:5)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe