CHEBI:72782 - methyl (indol-3-yl)acetate

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ChEBI Name methyl (indol-3-yl)acetate
Definition The methyl ester of indole-3-acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C11H11NO2
Net Charge 0
Average Mass 189.21050
Monoisotopic Mass 189.07898
InChI InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3
SMILES COC(=O)Cc1c[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.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing methyl (indol-3-yl)acetate (CHEBI:72782) has functional parent indole-3-acetic acid (CHEBI:16411)
methyl (indol-3-yl)acetate (CHEBI:72782) has role antineoplastic agent (CHEBI:35610)
methyl (indol-3-yl)acetate (CHEBI:72782) has role metabolite (CHEBI:25212)
methyl (indol-3-yl)acetate (CHEBI:72782) is a indoles (CHEBI:24828)
methyl (indol-3-yl)acetate (CHEBI:72782) is a methyl ester (CHEBI:25248)
methyl 1H-indol-3-ylacetate
Synonyms Sources
β-indolylacetic acid methyl ester NIST Chemistry WebBook
Indole-3-acetic acid, methyl ester NIST Chemistry WebBook
methyl (indol-3-yl)acetate UniProt
methyl 3-indolylacetate NIST Chemistry WebBook
methyl β-indoleacetate NIST Chemistry WebBook
methyl β-indolylacetate NIST Chemistry WebBook
Methyl indol-3-ylacetate ChemIDplus
Manual Xrefs Databases
CPD-10546 MetaCyc
HMDB0029738 HMDB
View more database links
Registry Numbers Types Sources
158031 Reaxys Registry Number Reaxys
1912-33-0 CAS Registry Number NIST Chemistry WebBook
1912-33-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12897246 PubMed citation SUBMITTER
17172432 PubMed citation Europe PMC
Last Modified
06 March 2015