RefMet Compound Details

MW structure37104 (View MW Metabolite Database details)
RefMet nameGentisic acid
Systematic name2,5-dihydroxybenzoic acid
SMILESOc1cc(C(O)=O)c(O)cc1
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
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzoic acids
Sub ClassHydroxybenzoic 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
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