RefMet Compound Details

MW structure37651 (View MW Metabolite Database details)
RefMet nameIndoleacetaldehyde
Systematic name2-(1H-indol-3-yl)acetaldehyde
SMILESc1ccc2c(c1)c(CC=O)c[nH]2   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass159.068414 (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
FormulaC10H9NOView other entries in RefMet with this formula
InChIKeyWHOOUMGHGSPMGR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassSimple indole alkaloids
Pubchem CID800
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Indoleacetaldehyde

Rxn IDKEGG ReactionEnzyme
R02678 Indole-3-acetaldehyde + NAD+ + H2O <=> Indole-3-acetate + NADH + H+Indole-3-acetaldehyde:NAD+ oxidoreductase
R02681 Indole-3-acetaldehyde + Oxygen + H2O <=> Indole-3-acetate + Hydrogen peroxideindole-3-acetaldehyde:oxygen oxidoreductase
R02173 Tryptamine + H2O + Oxygen <=> Indole-3-acetaldehyde + Ammonia + Hydrogen peroxideTryptamine:oxygen oxidoreductase(deaminating)

Table of KEGG human pathways containing Indoleacetaldehyde

Pathway IDHuman Pathway# of reactions
hsa00380 Tryptophan metabolism 2
hsa01100 Metabolic pathways 1