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> Main
CHEBI:72782 - methyl (indol-3-yl)acetate
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ChEBI Ontology
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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
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Molfile
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Molfile
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
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.
View more via ChEBI Ontology
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 1
H
-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
Types
Sources
12897246
PubMed citation
SUBMITTER
17172432
PubMed citation
Europe PMC
Last Modified
06 March 2015