Record Information
Version1.0
Created at2023-04-11 00:00:00 UTC
Updated at2023-04-11 00:00:00 UTC
RI-Pred IDRI00065532
Compound Identification
Common NameLeukotriene C4
Structure
Average Molecular Weight625.3033
SMILESCCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index7397.417
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices