RefMet Compound Details

MW structure38101 (View MW Metabolite Database details)
RefMet nameImidazolepropionic acid
Systematic name3-(1H-imidazol-5-yl)propanoic acid
SMILESC(CC(=O)O)c1c[nH]cn1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass140.058578 (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
FormulaC6H8N2O2View other entries in RefMet with this formula
InChIKeyZCKYOWGFRHAZIQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID70630
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)