RefMet Compound Details

MW structure37131 (View MW Metabolite Database details)
RefMet nameIndoleacetic acid
Systematic name2-(1H-indol-3-yl)acetic acid
SMILESOC(=O)Cc1c[nH]c2ccccc21
Exact mass175.063329 (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
FormulaC10H9NO2View other entries in RefMet with this formula
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassIndoles
Sub ClassIndole-3-acetic acid derivatives
Pubchem CID802
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Indoleacetic acid

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

Table of KEGG human pathways containing Indoleacetic acid

Pathway IDHuman Pathway# of reactions
hsa00380 Tryptophan metabolism 1
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