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CHEBI:65019 - methyl indole-3-carboxylate
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ChEBI Name
methyl indole-3-carboxylate
ChEBI ID
CHEBI:65019
Definition
The methyl ester of indole-3-carboxylic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H9NO2
Net Charge
0
Average Mass
175.18400
Monoisotopic Mass
175.06333
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
InChIKey
QXAUTQFAWKKNLM-UHFFFAOYSA-N
SMILES
COC(=O)c1c[nH]c2ccccc12
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl indole-3-carboxylate (
CHEBI:65019
)
has functional parent
indole-3-carboxylic acid (
CHEBI:24809
)
methyl indole-3-carboxylate (
CHEBI:65019
)
has role
metabolite (
CHEBI:25212
)
methyl indole-3-carboxylate (
CHEBI:65019
)
is a
indoles (
CHEBI:24828
)
methyl indole-3-carboxylate (
CHEBI:65019
)
is a
methyl ester (
CHEBI:25248
)
IUPAC Name
methyl 1
H
-indole-3-carboxylate
Synonyms
Sources
3-carbomethoxyindole
ChEBI
3-methoxycarbonylindole
ChEBI
indole-3-carboxylic acid methyl ester
ChEBI
Manual Xref
Database
CPDQT-423
MetaCyc
View more database links
Registry Number
Type
Source
142023
Reaxys Registry Number
Reaxys
Citation
Type
Source
19567706
PubMed citation
Europe PMC
Last Modified
06 March 2015