CHEBI:131778 - indole-5-carboxylic acid

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ChEBI Name indole-5-carboxylic acid
ChEBI ID CHEBI:131778
Definition An indolecarboxylic acid in which the carboxy group is the only substituent and is located at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7NO2
Net Charge 0
Average Mass 161.158
Monoisotopic Mass 161.04768
InChI InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKey IENZCGNHSIMFJE-UHFFFAOYSA-N
SMILES O=C(O)C=1C=CC=2NC=CC2C1
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in seed See: MetaboLights Study
Oryza sativa (NCBI:txid4530) Found in seed See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
4ZV PDBeChem
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Registry Numbers Types Sources
124391 Reaxys Registry Number Reaxys
1670-81-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
26860358 PubMed citation Europe PMC
Last Modified
18 November 2016