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CHEBI:131778 - indole-5-carboxylic acid

ChEBI IDCHEBI:131778
ChEBI Nameindole-5-carboxylic acid
Stars
DefinitionAn indolecarboxylic acid in which the carboxy group is the only substituent and is located at position 5.
Last Modified18 November 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H7NO2
Net Charge0
Average Mass161.160
Monoisotopic Mass161.04768
SMILESO=C(O)c1ccc2nccc2c1
InChIInChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKeyIENZCGNHSIMFJE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530)
seed (BTO:0001226) PubMed (26860358)
seed (BTO:0001226) MetaboLights (MTBLS286)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
indole-5-carboxylic acid (CHEBI:131778) has role plant metabolite (CHEBI:76924)
indole-5-carboxylic acid (CHEBI:131778) is a indolecarboxylic acid (CHEBI:38610)
IUPAC Name 
1H-indole-5-carboxylic acid
Manual XrefsDatabases
4ZVPDBeChem
Registry NumbersSources
Reaxys:124391Reaxys
CAS:1670-81-1ChemIDplus
Citations