PubChemLite - Glutathione palmitamide (C26H47N3O7S)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C26H47N3O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(30)28-20(26(35)36)16-17-23(31)29-21(19-37)25(34)27-18-24(32)33/h20-21,37H,2-19H2,1H3,(H,27,34)(H,28,30)(H,29,31)(H,32,33)(H,35,36)/t20-,21-/m0/s1

InChIKey

OPZUFCSODCAIIR-SFTDATJTSA-N

Compound name

(2S)-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-(hexadecanoylamino)-5-oxopentanoic 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]+	546.32078	245.1
[M+Na]+	568.30272	253.2
[M-H]-	544.30622	246.0
[M+NH4]+	563.34732	249.4
[M+K]+	584.27666	250.1
[M+H-H2O]+	528.31076	243.9
[M+HCOO]-	590.31170	234.0
[M+CH3COO]-	604.32735	254.2
[M+Na-2H]-	566.28817	231.8
[M]+	545.31295	237.6
[M]-	545.31405	237.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

546.32078

245.1

[M+Na]+

568.30272

253.2

[M-H]-

544.30622

246.0

[M+NH4]+

563.34732

249.4

[M+K]+

584.27666

250.1

[M+H-H2O]+

528.31076

243.9

[M+HCOO]-

590.31170

234.0

[M+CH3COO]-

604.32735

254.2

[M+Na-2H]-

566.28817

231.8

[M]+

545.31295

237.6

[M]-

545.31405

237.6

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

Glutathione palmitamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe