PubChemLite - Lysope(0:0/22:4(7z,10z,13z,16z)) (C27H48NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-/t26-/m1/s1

InChIKey

VLFJNHPNIOTOOA-YMIVKDKMSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-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]+	530.32411	225.1
[M+Na]+	552.30605	231.0
[M+NH4]+	547.35065	228.3
[M+K]+	568.27999	228.3
[M-H]-	528.30955	219.8
[M+Na-2H]-	550.29150	229.5
[M]+	529.31628	224.6
[M]-	529.31738	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.32411

225.1

[M+Na]+

552.30605

231.0

[M+NH4]+

547.35065

228.3

[M+K]+

568.27999

228.3

[M-H]-

528.30955

219.8

[M+Na-2H]-

550.29150

229.5

[M]+

529.31628

224.6

[M]-

529.31738

224.6

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

Lysope(0:0/22:4(7z,10z,13z,16z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe