CID 13894650

Gamma-glutamyl-s-methylcysteine

Structural Information

Molecular Formula
C9H16N2O5S
SMILES
CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C9H16N2O5S/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKey
UPCDLBPYWXOCOK-UHFFFAOYSA-N
Compound name
2-amino-5-[(1-carboxy-2-methylsulfanylethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

176
Patents

264.078 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.085276 159.8
[M+Na]+ 287.067218 161.7
[M-H]- 263.070724 155.8
[M+NH4]+ 282.111823 173.4
[M+K]+ 303.041158 160.5
[M+H-H2O]+ 247.075260 153.1
[M+HCOO]- 309.076201 171.7
[M+CH3COO]- 323.091851 196.1
[M+Na-2H]- 285.052666 155.3
[M]+ 264.07745142 159.3
[M]- 264.07854858 159.3
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