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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
1
H
-indole-5-carboxylic acid
Manual Xref
Database
4ZV
PDBeChem
View more database links
Registry Numbers
Types
Sources
124391
Reaxys Registry Number
Reaxys
1670-81-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
26860358
PubMed citation
Europe PMC
Last Modified
18 November 2016