CID 13894653

Gamma-l-glutamyl-l-methionine sulfoxide

Structural Information

Molecular Formula
C10H18N2O6S
SMILES
CS(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C10H18N2O6S/c1-19(18)5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKey
NEVSWSOSRAOCGK-UHFFFAOYSA-N
Compound name
2-amino-5-[(1-carboxy-3-methylsulfinylpropyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08856 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09584 165.7
[M+Na]+ 317.07778 166.7
[M+NH4]+ 312.12238 167.2
[M+K]+ 333.05172 166.6
[M-H]- 293.08128 159.8
[M+Na-2H]- 315.06323 161.7
[M]+ 294.08801 163.5
[M]- 294.08911 163.5
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

No patent data available for this compound.