Showing RIpred-Card for Glutaconyl-CoA (RI00071302)

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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 IDRI00071302
Compound Identification
Common NameGlutaconyl-CoA
Structure
Average Molecular Weight879.1313
SMILESCC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(O)=O
Physical Properties
Predicted Properties
PropertyValueReference
Retention Index4338.0884
References
General ReferencesAccurate Prediction of Gas Chromatographic Kováts Retention Indices