RefMet Compound Details

MW structure38207 (View MW Metabolite Database details)
RefMet nameMethylimidazoleacetic acid
Systematic name2-(1-methyl-1H-imidazol-4-yl)acetic acid
SMILESCn1cc(CC(=O)O)nc1   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
InChIKeyZHCKPJGJQOPTLB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID75810
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Methylimidazoleacetic acid

Rxn IDKEGG ReactionEnzyme
R04996 Methylimidazole acetaldehyde + NAD+ + H2O <=> Methylimidazoleacetic acid + NADH + H+3-Methylimidazole acetaldehyde:NAD+ oxidoreductase

Table of KEGG human pathways containing Methylimidazoleacetic acid

Pathway IDHuman Pathway# of reactions
hsa00340 Histidine metabolism 1