RefMet Compound Details

MW structure37104 (View MW Metabolite Database details)
RefMet nameGentisic acid
Systematic name2,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass154.026610 (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
FormulaC7H6O4View other entries in RefMet with this formula
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassPolyketides
Main ClassPhenolic acids
Sub ClassPhenolic acids
Pubchem CID3469
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Gentisic acid

Rxn IDKEGG ReactionEnzyme
R02657 2,5-Dihydroxybenzoate + Hydrogen peroxide <=> Gentisate aldehyde + Oxygen + H2O2,5-Dihydroxybenzoate + Hydrogen peroxide <=> Gentisate aldehyde + Oxygen + H2O
R02655 Gentisate aldehyde + NAD+ + H2O <=> 2,5-Dihydroxybenzoate + NADH + H+Gentisate aldehyde:NAD+ oxidoreductase

Table of KEGG human pathways containing Gentisic acid

Pathway IDHuman Pathway# of reactions
hsa00350 Tyrosine metabolism 1
hsa01100 Metabolic pathways 1