CID 22723545

Gamma-glutamylcysteinylserine

Structural Information

Molecular Formula

C₁₁H₁₉N₃O₇S

SMILES

C(CC(=O)NC(CS)C(=O)NC(CO)C(=O)O)C(C(=O)O)N

InChI

InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21)

InChIKey

QWHVIVGONDEFNH-UHFFFAOYSA-N

Compound name

2-amino-5-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 337.09436 Da
Monoisotopic Mass: -5.1
XlogP (predicted)

Profile

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]+	338.101636	175.0
[M+Na]+	360.083578	173.9
[M-H]-	336.087084	169.0
[M+NH4]+	355.128183	184.0
[M+K]+	376.057518	173.8
[M+H-H2O]+	320.091620	167.3
[M+HCOO]-	382.092561	184.4
[M+CH3COO]-	396.108211	210.8
[M+Na-2H]-	358.069026	168.2
[M]+	337.09381142	173.2
[M]-	337.09490858	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe