PubChemLite - Lpa 22:5 (C25H41O7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C25H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,24,26H,2,5,8,11,14,17-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-

InChIKey

MAVJZWJXRPSWDK-JLNKQSITSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

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]+	485.26628	213.0
[M+Na]+	507.24822	217.5
[M-H]-	483.25172	207.4
[M+NH4]+	502.29282	214.0
[M+K]+	523.22216	212.5
[M+H-H2O]+	467.25626	203.3
[M+HCOO]-	529.25720	223.4
[M+CH3COO]-	543.27285	229.3
[M+Na-2H]-	505.23367	198.7
[M]+	484.25845	208.6
[M]-	484.25955	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.26628

213.0

[M+Na]+

507.24822

217.5

[M-H]-

483.25172

207.4

[M+NH4]+

502.29282

214.0

[M+K]+

523.22216

212.5

[M+H-H2O]+

467.25626

203.3

[M+HCOO]-

529.25720

223.4

[M+CH3COO]-

543.27285

229.3

[M+Na-2H]-

505.23367

198.7

[M]+

484.25845

208.6

[M]-

484.25955

208.6

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

Lpa 22:5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe