RefMet Compound Details

MW structure71873 (View MW Metabolite Database details)
RefMet nameImidazole propanoate
Alternative nameImidazole propionate
Systematic name3-imidazol-1-ylpropionate
SMILESC(Cn1ccnc1)C(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass139.050753 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H7N2O2View other entries in RefMet with this formula
InChIKeyVSFNAZLYGOOSEY-UHFFFAOYSA-MView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID6984337
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)