EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:24809 - indole-3-carboxylic acid

Default Structure
ChEBI IDCHEBI:24809
ChEBI Nameindole-3-carboxylic acid
Stars
DefinitionAn indole-3-carboxylic acid carrying a carboxy group at position 3.
Secondary ChEBI IDCHEBI:49657
Last Modified5 July 2016
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESO=C(O)c1cnc2ccccc12
InChIInChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKeyKMAKOBLIOCQGJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (4844607)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
indole-3-carboxylic acid (CHEBI:24809) has role bacterial metabolite (CHEBI:76969)
indole-3-carboxylic acid (CHEBI:24809) has role human metabolite (CHEBI:77746)
indole-3-carboxylic acid (CHEBI:24809) is a indol-3-yl carboxylic acid (CHEBI:24810)
indole-3-carboxylic acid (CHEBI:24809) is conjugate acid of indole-3-carboxylate (CHEBI:62448)
Incoming Relation(s)
D-glucosyl 6-hydroxyindole-3-carboxylate (CHEBI:65026) has functional parent indole-3-carboxylic acid (CHEBI:24809)
D-glucosyl indole-3-carboxylate (CHEBI:65021) has functional parent indole-3-carboxylic acid (CHEBI:24809)
1H-indole-3-carboxylate ester (CHEBI:79025) has functional parent indole-3-carboxylic acid (CHEBI:24809)
3-indole carboxylic acid glucuronide (CHEBI:68486) has functional parent indole-3-carboxylic acid (CHEBI:24809)
4-O-(1H-indol-3-ylcarbonyl)ascaroside (CHEBI:79024) has functional parent indole-3-carboxylic acid (CHEBI:24809)
5-(6-O-malonyl-β-D-glucosyloxy)-indole-3-carboxylic acid (CHEBI:91163) has functional parent indole-3-carboxylic acid (CHEBI:24809)
6-(D-glucosyloxy)indole-3-carboxylic acid (CHEBI:65025) has functional parent indole-3-carboxylic acid (CHEBI:24809)
methyl indole-3-carboxylate (CHEBI:65019) has functional parent indole-3-carboxylic acid (CHEBI:24809)
tropisetron (CHEBI:32269) has functional parent indole-3-carboxylic acid (CHEBI:24809)
indole-3-carboxylate (CHEBI:62448) is conjugate base of indole-3-carboxylic acid (CHEBI:24809)
IUPAC Name 
1H-indole-3-carboxylic acid
Synonym  Source
indole-3-carboxylic acidChemIDplus
Manual XrefsDatabases
HMDB0003320HMDB
ICOPDBeChem
Registry NumbersSources
Reaxys:129435Reaxys
Gmelin:1875411Gmelin
CAS:771-50-6ChemIDplus
Citations