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CHEBI:112106 - (R)-3-(indol-3-yl)-2-oxobutyric acid

ChEBI IDCHEBI:112106
ChEBI Name(R)-3-(indol-3-yl)-2-oxobutyric acid
Stars
ASCII Name(R)-3-(indol-3-yl)-2-oxobutyric acid
DefinitionThe (R)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid.
Last Modified11 April 2016
DownloadsMolfile
FormulaC12H11NO3
Net Charge0
Average Mass217.224
Monoisotopic Mass217.07389
SMILESC[C@@H](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)/t7-/m1/s1
InChIKeyVSANSNPZLCXLRK-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (25730866) Strain: ATCC 12648
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)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) has role bacterial metabolite (CHEBI:76969)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is a 3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is conjugate acid of (R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is enantiomer of (S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083)
Incoming Relation(s)
(R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180) is conjugate base of (R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106)
(S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083) is enantiomer of (R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106)
IUPAC Name 
(3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid
Synonym  Source
(R)-β-methylindolepyruvic acidChEBI
Manual XrefsDatabases
CPD-398MetaCyc
Registry NumbersSources
Reaxys:26479367Reaxys
Citations