PubChemLite - Lysope(0:0/18:4(6z,9z,12z,15z)) (C23H40NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1

InChIKey

SYKRNJVTCMUCGF-JVBHARQXSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-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]+	474.26152	211.1
[M+Na]+	496.24346	217.3
[M+NH4]+	491.28806	214.4
[M+K]+	512.21740	213.9
[M-H]-	472.24696	207.1
[M+Na-2H]-	494.22891	216.8
[M]+	473.25369	210.9
[M]-	473.25479	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.26152

211.1

[M+Na]+

496.24346

217.3

[M+NH4]+

491.28806

214.4

[M+K]+

512.21740

213.9

[M-H]-

472.24696

207.1

[M+Na-2H]-

494.22891

216.8

[M]+

473.25369

210.9

[M]-

473.25479

210.9

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

Lysope(0:0/18:4(6z,9z,12z,15z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe