RefMet Compound Details

MW structure50500 (View MW Metabolite Database details)
RefMet nameN-Acetylhistidine
Systematic nameN(2)-acetyl-L-histidine
SMILESCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass197.080042 (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
FormulaC8H11N3O3View other entries in RefMet with this formula
InChIKeyKBOJOGQFRVVWBH-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID75619
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)