CID 11346811

Gamma-glutamyl-s-allylcysteine

Structural Information

Molecular Formula
C11H18N2O5S
SMILES
C=CCSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H18N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h2,7-8H,1,3-6,12H2,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKey
FUTHBNRZCFKVQZ-YUMQZZPRSA-N
Compound name
(2S)-2-amino-5-[[(1R)-1-carboxy-2-prop-2-enylsulfanylethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

137
Patents

290.09363 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.100906 167.4
[M+Na]+ 313.082848 168.7
[M-H]- 289.086354 163.0
[M+NH4]+ 308.127453 179.9
[M+K]+ 329.056788 166.5
[M+H-H2O]+ 273.090890 160.4
[M+HCOO]- 335.091831 178.9
[M+CH3COO]- 349.107481 201.1
[M+Na-2H]- 311.068296 162.0
[M]+ 290.09308142 166.9
[M]- 290.09417858 166.9
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