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CHEBI:85502 - 3-methyl-2-indolate

ChEBI IDCHEBI:85502
ChEBI Name3-methyl-2-indolate
Stars
DefinitionAn indolecarboxylate obtained by deprotonation of the carboxy group of 3-methyl-2-indolic acid; major species at pH 7.3.
Last Modified29 May 2015
Submittergemma
DownloadsMolfile
FormulaC10H8NO2
Net Charge-1
Average Mass174.179
Monoisotopic Mass174.05605
SMILESCc1c(C(=O)[O-])nc2ccccc12
InChIInChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-9(6)10(12)13/h2-5,11H,1H3,(H,12,13)/p-1
InChIKeyNCXGWFIXUJHVLI-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Streptomyces actuosus (ncbitaxon:1885) - PubMed (25196319)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-methyl-2-indolate (CHEBI:85502) has role bacterial metabolite (CHEBI:76969)
3-methyl-2-indolate (CHEBI:85502) is a indolecarboxylate (CHEBI:38609)
3-methyl-2-indolate (CHEBI:85502) is conjugate base of 3-methyl-2-indolic acid (CHEBI:85902)
Incoming Relation(s)
3-methyl-2-indolic acid (CHEBI:85902) is conjugate acid of 3-methyl-2-indolate (CHEBI:85502)
IUPAC Name 
3-methyl-1H-indole-2-carboxylate
Synonym  Source
3-methylindole-2-carboxylateChEBI
Citations