Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01708912
Compound Identification
Common Name4-hydroxy-2-nonenal-glutathione conjugate,1TMS,isomer#4
Structure
Average Molecular Weight531.2076
SMILESCCCCCC(O)C(CC=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)N(CC(=O)[O-])[Si](C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index3575.6875
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices