RefMet Compound Details

MW structure37193 (View MW Metabolite Database details)
RefMet nameUrocanic acid
Systematic name(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid
SMILESC(=C\C(=O)O)/c1c[nH]cn1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass138.042928 (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
FormulaC6H6N2O2View other entries in RefMet with this formula
InChIKeyLOIYMIARKYCTBW-OWOJBTEDSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassHistidine alkaloids
Sub ClassImidazole alkaloids
Pubchem CID736715
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Urocanic acid

Rxn IDKEGG ReactionEnzyme
R01168 L-Histidine <=> Urocanate + AmmoniaL-histidine ammonia-lyase (urocanate-forming)
R02914 4-Imidazolone-5-propanoate <=> Urocanate + H2O4,5-Dihydro-4-oxo-5-imidazolepropanoate hydro-lyase

Table of KEGG human pathways containing Urocanic acid

Pathway IDHuman Pathway# of reactions
hsa00340 Histidine metabolism 2