CID 13894651

Gamma-glutamyl-s-methylcysteine sulfoxide

Structural Information

Molecular Formula
C9H16N2O6S
SMILES
CS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C9H16N2O6S/c1-18(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
MQEBEBZYRKXMDL-UHFFFAOYSA-N
Compound name
2-amino-5-[(1-carboxy-2-methylsulfinylethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

280.0729 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08018 161.6
[M+Na]+ 303.06212 163.3
[M-H]- 279.06562 157.5
[M+NH4]+ 298.10672 174.3
[M+K]+ 319.03606 162.7
[M+H-H2O]+ 263.07016 154.8
[M+HCOO]- 325.07110 172.9
[M+CH3COO]- 339.08675 198.6
[M+Na-2H]- 301.04757 156.2
[M]+ 280.07235 161.2
[M]- 280.07345 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe