CID 18410556

Gamma-glutamyl-s-(1-propenyl)cysteine sulfoxide

Structural Information

Molecular Formula
C11H18N2O6S
SMILES
C/C=C/S(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H18N2O6S/c1-2-5-20(19)6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,5,7-8H,3-4,6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/b5-2+
InChIKey
LMNDKWXDMBGGAL-GORDUTHDSA-N
Compound name
2-amino-5-[[1-carboxy-2-[(E)-prop-1-enyl]sulfinylethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

306.08856 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09584 169.4
[M+Na]+ 329.07778 170.7
[M-H]- 305.08128 165.1
[M+NH4]+ 324.12238 181.1
[M+K]+ 345.05172 169.0
[M+H-H2O]+ 289.08582 162.5
[M+HCOO]- 351.08676 180.3
[M+CH3COO]- 365.10241 203.1
[M+Na-2H]- 327.06323 163.2
[M]+ 306.08801 169.0
[M]- 306.08911 169.0
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