Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:85902 - 3-methyl-2-indolic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-methyl-2-indolic acid
ChEBI ID
CHEBI:85902
Definition
An indolecarboxylic acid that is indole-2-carboxylic acid in which the hydrogen at position 3 is replaced by a methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H9NO2
Net Charge
0
Average Mass
175.18400
Monoisotopic Mass
175.06333
InChI
InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
NCXGWFIXUJHVLI-UHFFFAOYSA-N
SMILES
Cc1c([nH]c2ccccc12)C(O)=O
Metabolite of Species
Details
Streptomyces actuosus
(NCBI:txid1885)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methyl-2-indolic acid (
CHEBI:85902
)
has role
bacterial metabolite (
CHEBI:76969
)
3-methyl-2-indolic acid (
CHEBI:85902
)
is a
indolecarboxylic acid (
CHEBI:38610
)
3-methyl-2-indolic acid (
CHEBI:85902
)
is conjugate acid of
3-methyl-2-indolate (
CHEBI:85502
)
Incoming
3-methyl-2-indolate (
CHEBI:85502
)
is conjugate base of
3-methyl-2-indolic acid (
CHEBI:85902
)
IUPAC Name
3-methyl-1
H
-indole-2-carboxylic acid
Synonym
Source
3-methylindole-2-carboxylic acid
ChEBI
Registry Number
Type
Source
5831
Reaxys Registry Number
Reaxys
Citation
Type
Source
25196319
PubMed citation
Europe PMC
Last Modified
29 May 2015