PubChemLite - N-arachidonoyl glutamic acid (C25H39NO5)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)26-22(25(30)31)20-21-24(28)29/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,26,27)(H,28,29)(H,30,31)/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1

InChIKey

IQKGZNHDNWUCTC-HUDVFFLJSA-N

Compound name

(2S)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]pentanedioic acid

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]+	434.29012	212.6
[M+Na]+	456.27206	222.4
[M-H]-	432.27556	209.8
[M+NH4]+	451.31666	214.9
[M+K]+	472.24600	216.9
[M+H-H2O]+	416.28010	206.4
[M+HCOO]-	478.28104	216.7
[M+CH3COO]-	492.29669	228.1
[M+Na-2H]-	454.25751	202.8
[M]+	433.28229	208.1
[M]-	433.28339	208.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.29012

212.6

[M+Na]+

456.27206

222.4

[M-H]-

432.27556

209.8

[M+NH4]+

451.31666

214.9

[M+K]+

472.24600

216.9

[M+H-H2O]+

416.28010

206.4

[M+HCOO]-

478.28104

216.7

[M+CH3COO]-

492.29669

228.1

[M+Na-2H]-

454.25751

202.8

[M]+

433.28229

208.1

[M]-

433.28339

208.1

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

N-arachidonoyl glutamic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe