CID 10171468

Glutamylcysteine

Structural Information

Molecular Formula
C8H14N2O5S
SMILES
C(CC(=O)O)[C@@H](C(=O)N[C@@H](CS)C(=O)O)N
InChI
InChI=1S/C8H14N2O5S/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
InChIKey
PABVKUJVLNMOJP-WHFBIAKZSA-N
Compound name
(4S)-4-amino-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

109
References

5687
Patents

250.06235 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06963 155.6
[M+Na]+ 273.05157 157.8
[M+NH4]+ 268.09617 158.4
[M+K]+ 289.02551 156.8
[M-H]- 249.05507 150.7
[M+Na-2H]- 271.03702 152.8
[M]+ 250.06180 153.9
[M]- 250.06290 153.9
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