PubChemLite - Lysope(0:0/20:5(5z,8z,11z,14z,17z)) (C25H42NO7P)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C25H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)33-24(22-27)23-32-34(29,30)31-21-20-26/h3-4,6-7,9-10,12-13,15-16,24,27H,2,5,8,11,14,17-23,26H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-,16-15-/t24-/m1/s1

InChIKey

MMHCCHGAKPRCIO-KOYQJJOGSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (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]+	500.27718	215.6
[M+Na]+	522.25912	222.2
[M+NH4]+	517.30372	218.9
[M+K]+	538.23306	219.0
[M-H]-	498.26262	211.7
[M+Na-2H]-	520.24457	221.2
[M]+	499.26935	215.6
[M]-	499.27045	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.27718

215.6

[M+Na]+

522.25912

222.2

[M+NH4]+

517.30372

218.9

[M+K]+

538.23306

219.0

[M-H]-

498.26262

211.7

[M+Na-2H]-

520.24457

221.2

[M]+

499.26935

215.6

[M]-

499.27045

215.6

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

Lysope(0:0/20:5(5z,8z,11z,14z,17z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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