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CHEBI:85902 - 3-methyl-2-indolic acid

ChEBI IDCHEBI:85902
ChEBI Name3-methyl-2-indolic acid
Stars
DefinitionAn indolecarboxylic acid that is indole-2-carboxylic acid in which the hydrogen at position 3 is replaced by a methyl group.
Last Modified29 May 2015
SubmitterSteve
DownloadsMolfile
FormulaC10H9NO2
Net Charge0
Average Mass175.187
Monoisotopic Mass175.06333
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)
InChIKeyNCXGWFIXUJHVLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces actuosus (ncbitaxon:1885) - PubMed (25196319)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-methyl-2-indolate (CHEBI:85502) is conjugate base of 3-methyl-2-indolic acid (CHEBI:85902)
IUPAC Name 
3-methyl-1H-indole-2-carboxylic acid
Synonym  Source
3-methylindole-2-carboxylic acidChEBI
Registry NumbersSources
Reaxys:5831Reaxys
Citations