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

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ChEBI Name	methyl (indol-3-yl)acetate

ChEBI ID	CHEBI:72782

Definition	The methyl ester of indole-3-acetic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	KAX

Supplier Information	ChemicalBook:CB4148782, eMolecules:532085, ZINC000000330142

Download	Molfile XML SDF

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Formula

C11H11NO2

Net Charge

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

InChIKey

KTHADMDGDNYQRX-UHFFFAOYSA-N

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.

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)

IUPAC Name

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

Last Modified

06 March 2015