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CHEBI:28549 - 3-(indol-3-yl)-2-oxobutyric acid

ChEBI IDCHEBI:28549
ChEBI Name3-(indol-3-yl)-2-oxobutyric acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group.
Secondary ChEBI IDsCHEBI:1607, CHEBI:20136
Last Modified11 April 2016
DownloadsMolfile
FormulaC12H11NO3
Net Charge0
Average Mass217.224
Monoisotopic Mass217.07389
SMILESCC(C(=O)C(=O)O)c1cnc2ccccc12
InChIInChI=1S/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)
InChIKeyVSANSNPZLCXLRK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549) has functional parent butyric acid (CHEBI:30772)
3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549) is a indol-3-yl carboxylic acid (CHEBI:24810)
Incoming Relation(s)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is a 3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549)
(S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083) is a 3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549)
IUPAC Name 
3-(1H-indol-3-yl)-2-oxobutanoic acid
Synonym  Source
3-MethylindolepyruvateKEGG COMPOUND
Manual XrefsDatabases
C05644KEGG COMPOUND
Registry NumbersSources
Beilstein:477498Beilstein