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.
Supplier Information
Download Molfile XML SDF
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 1H-indole-3-carboxylate
Synonyms Sources
3-carbomethoxyindole ChEBI
3-methoxycarbonylindole ChEBI
indole-3-carboxylic acid methyl ester ChEBI
Manual Xref Database
CPDQT-423 MetaCyc
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Registry Number Type Source
142023 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
19567706 PubMed citation Europe PMC
Last Modified
06 March 2015