Showing RIpred-Card for 4-hydroxy-2-nonenal-glutathione conjugate,3TBDMS,isomer#1 (RI01708905)

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IdentificationPhysical propertiesReferencesXML
Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI01708905
Compound Identification
Common Name4-hydroxy-2-nonenal-glutathione conjugate,3TBDMS,isomer#1
Structure
Average Molecular Weight801.4275
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)C(C=CO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)[O-])N(C(=O)CCC([N+])C(=O)[O-])[Si](C)(C)C(C)(C)C
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4099.772
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices