RefMet Compound Details

MW structure37081 (View MW Metabolite Database details)
RefMet nameHomovanillic acid
Systematic name2-(4-hydroxy-3-methoxyphenyl)acetic acid
SMILESCOc1cc(ccc1O)CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass182.057910 (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
FormulaC9H10O4View other entries in RefMet with this formula
InChIKeyQRMZSPFSDQBLIX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID1738
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Homovanillic acid

Rxn IDKEGG ReactionEnzyme
R04889 3-Methoxy-4-hydroxyphenylacetaldehyde + NADP+ + H2O <=> Homovanillate + NADPH + H+3-Methoxy-4-hydroxyphenylacetaldehyde:NADP+ oxidoreductase
R04888 3-Methoxy-4-hydroxyphenylacetaldehyde + NAD+ + H2O <=> Homovanillate + NADH + H+3-Methoxy-4-hydroxyphenylacetaldehyde:NAD+ oxidoreductase
R03304 S-Adenosyl-L-methionine + 3,4-Dihydroxyphenylacetate <=> S-Adenosyl-L-homocysteine + HomovanillateS-Adenosyl-L-methionine:catechol O-methyltransferase

Table of KEGG human pathways containing Homovanillic acid

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 3
hsa01100 Metabolic pathways 2