RefMet Compound Details

MW structure37979 (View MW Metabolite Database details)
RefMet nameImidazoleacetic acid
Systematic name2-(1H-imidazol-5-yl)acetic acid
SMILESOC(=O)Cc1c[nH]c[n]1
Exact mass126.042928 (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
FormulaC5H6N2O2View other entries in RefMet with this formula
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKeyPRJKNHOMHKJCEJ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassImidazoles
Sub ClassImidazolyl carboxylic acids
Pubchem CID96215
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Imidazoleacetic acid

Rxn IDKEGG ReactionEnzyme
R04065 Imidazole-4-acetaldehyde + NAD+ + H2O <=> Imidazole-4-acetate + NADH + H+Imidazole acetaldehyde:NAD+ oxidoreductase

Table of KEGG human pathways containing Imidazoleacetic acid

Pathway IDHuman Pathway# of reactions
hsa00340 Histidine metabolism 1
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