RefMet Compound Details

MW structure87131 (View MW Metabolite Database details)
RefMet nameMetronidazole-OH
Systematic name2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethanol
SMILESC(CO)n1c(CO)ncc1[N+](=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass187.059307 (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
FormulaC6H9N3O4View other entries in RefMet with this formula
InChIKeyAEHPOYAOLCAMIU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID121858
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)