CID 22723545

Gamma-glutamylcysteinylserine

Structural Information

Molecular Formula
C11H19N3O7S
SMILES
C(CC(=O)NC(CS)C(=O)NC(CO)C(=O)O)C(C(=O)O)N
InChI
InChI=1S/C11H19N3O7S/c12-5(10(18)19)1-2-8(16)13-7(4-22)9(17)14-6(3-15)11(20)21/h5-7,15,22H,1-4,12H2,(H,13,16)(H,14,17)(H,18,19)(H,20,21)
InChIKey
QWHVIVGONDEFNH-UHFFFAOYSA-N
Compound name
2-amino-5-[[1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

337.09436 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10164 175.0
[M+Na]+ 360.08358 173.9
[M-H]- 336.08708 169.0
[M+NH4]+ 355.12818 184.0
[M+K]+ 376.05752 173.8
[M+H-H2O]+ 320.09162 167.3
[M+HCOO]- 382.09256 184.4
[M+CH3COO]- 396.10821 210.8
[M+Na-2H]- 358.06903 168.2
[M]+ 337.09381 173.2
[M]- 337.09491 173.2
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