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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:24809 - indole-3-carboxylic acid
Main
ChEBI Ontology
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ChEBI Name
indole-3-carboxylic acid
ChEBI ID
CHEBI:24809
Definition
An indole-3-carboxylic acid carrying a carboxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:49657
Supplier Information
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Molfile
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Molfile
Molfile
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Formula
C9H7NO2
Net Charge
0
Average Mass
161.15740
Monoisotopic Mass
161.04768
InChI
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey
KMAKOBLIOCQGJP-UHFFFAOYSA-N
SMILES
OC(=O)c1c[nH]c2ccccc12
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
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):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
1
H
-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
-(1
H
-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
)
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
)
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
1
H
-indole-3-carboxylic acid
Synonym
Source
indole-3-carboxylic acid
ChemIDplus
Manual Xrefs
Databases
HMDB0003320
HMDB
ICO
PDBeChem
View more database links
Registry Numbers
Types
Sources
129435
Beilstein Registry Number
Beilstein
129435
Reaxys Registry Number
Reaxys
1875411
Gmelin Registry Number
Gmelin
771-50-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1262308
PubMed citation
Europe PMC
13905029
PubMed citation
Europe PMC
16664264
PubMed citation
Europe PMC
23116603
PubMed citation
Europe PMC
4844607
PubMed citation
Europe PMC
Last Modified
05 July 2016