PubChemLite - Lysope(20:4) (C25H44NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

InChI

InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15-/t24-/m1/s1

InChIKey

ROPRRXYVXLDXQO-XSQXPFHXSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

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]+	502.29283	218.1
[M+Na]+	524.27477	224.2
[M+NH4]+	519.31937	221.4
[M+K]+	540.24871	221.1
[M-H]-	500.27827	213.4
[M+Na-2H]-	522.26022	223.2
[M]+	501.28500	217.8
[M]-	501.28610	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.29283

218.1

[M+Na]+

524.27477

224.2

[M+NH4]+

519.31937

221.4

[M+K]+

540.24871

221.1

[M-H]-

500.27827

213.4

[M+Na-2H]-

522.26022

223.2

[M]+

501.28500

217.8

[M]-

501.28610

217.8

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

Lysope(20:4)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe