CID 123938

Gamma-glutamylcysteine

Structural Information

Molecular Formula
C8H14N2O5S
SMILES
C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
InChIKey
RITKHVBHSGLULN-WHFBIAKZSA-N
Compound name
(2S)-2-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

988
References

4193
Patents

250.06235 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06963 155.4
[M+Na]+ 273.05157 157.8
[M-H]- 249.05507 151.6
[M+NH4]+ 268.09617 169.6
[M+K]+ 289.02551 156.8
[M+H-H2O]+ 233.05961 148.9
[M+HCOO]- 295.06055 167.7
[M+CH3COO]- 309.07620 193.1
[M+Na-2H]- 271.03702 151.4
[M]+ 250.06180 154.6
[M]- 250.06290 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe