PubChemLite - Lpa 20:5 (C23H37O7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h3-4,6-7,9-10,12-13,15-16,22,24H,2,5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b4-3-,7-6-,10-9-,13-12-,16-15-

InChIKey

DKFJPTBTSHHMCQ-JLNKQSITSA-N

Compound name

(2-hydroxy-3-phosphonooxypropyl) (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-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]+	457.23498	205.9
[M+Na]+	479.21692	210.7
[M-H]-	455.22042	201.1
[M+NH4]+	474.26152	207.0
[M+K]+	495.19086	204.9
[M+H-H2O]+	439.22496	196.5
[M+HCOO]-	501.22590	217.1
[M+CH3COO]-	515.24155	223.5
[M+Na-2H]-	477.20237	192.5
[M]+	456.22715	201.6
[M]-	456.22825	201.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.23498

205.9

[M+Na]+

479.21692

210.7

[M-H]-

455.22042

201.1

[M+NH4]+

474.26152

207.0

[M+K]+

495.19086

204.9

[M+H-H2O]+

439.22496

196.5

[M+HCOO]-

501.22590

217.1

[M+CH3COO]-

515.24155

223.5

[M+Na-2H]-

477.20237

192.5

[M]+

456.22715

201.6

[M]-

456.22825

201.6

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

Lpa 20:5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe