CID 131750738

Cysteinyl-gamma-glutamate

Structural Information

Molecular Formula
C8H15N3O4S
SMILES
C(CC(=O)NC(=O)C(CS)N)C(C(=O)O)N
InChI
InChI=1S/C8H15N3O4S/c9-4(8(14)15)1-2-6(12)11-7(13)5(10)3-16/h4-5,16H,1-3,9-10H2,(H,14,15)(H,11,12,13)
InChIKey
XPAFFAFOIOJDEH-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

249.07832 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08560 156.5
[M+Na]+ 272.06754 158.7
[M-H]- 248.07104 153.6
[M+NH4]+ 267.11214 171.0
[M+K]+ 288.04148 157.7
[M+H-H2O]+ 232.07558 149.4
[M+HCOO]- 294.07652 170.4
[M+CH3COO]- 308.09217 197.4
[M+Na-2H]- 270.05299 152.2
[M]+ 249.07777 154.1
[M]- 249.07887 154.1
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