RefMet Compound Details

MW structure38331 (View MW Metabolite Database details)
RefMet nameL-Histidinol
Systematic name(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SMILESC([C@@H](CO)N)c1c[nH]cn1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass141.090212 (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
FormulaC6H11N3OView other entries in RefMet with this formula
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Pubchem CID165271
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)