CID 440760

Gamma-glutamyl-se-methylselenocysteine

Structural Information

Molecular Formula
C9H16N2O5Se
SMILES
C[Se]CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C9H16N2O5Se/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
IEFQLTYCECVOLL-UHFFFAOYSA-N
Compound name
2-amino-5-[(1-carboxy-2-methylselanylethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

83
Patents

312.02243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02971 169.7
[M+Na]+ 335.01165 171.6
[M-H]- 311.01515 165.5
[M+NH4]+ 330.05625 183.3
[M+K]+ 350.98559 171.4
[M+H-H2O]+ 295.01969 162.8
[M+HCOO]- 357.02063 186.6
[M+CH3COO]- 371.03628 197.7
[M+Na-2H]- 332.99710 165.5
[M]+ 312.02188 167.7
[M]- 312.02298 167.7
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