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CHEBI:16083 - (S)-3-(indol-3-yl)-2-oxobutyric acid

ChEBI IDCHEBI:16083
ChEBI Name(S)-3-(indol-3-yl)-2-oxobutyric acid
Stars
ASCII Name(S)-3-(indol-3-yl)-2-oxobutyric acid
DefinitionThe (S)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid.
Secondary ChEBI IDsCHEBI:443, CHEBI:12415, CHEBI:18771, CHEBI:18772
Last Modified28 May 2024
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-/m0/s1
InChIKeyVSANSNPZLCXLRK-ZETCQYMHSA-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)
(S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083) is a 3-(indol-3-yl)-2-oxobutyric acid (CHEBI:28549)
(S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083) is conjugate acid of (S)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:57633)
(S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083) is enantiomer of (R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106)
Incoming Relation(s)
(S)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:57633) is conjugate base of (S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is enantiomer of (S)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:16083)
IUPAC Name 
(3S)-3-(1H-indol-3-yl)-2-oxobutanoic acid
Synonyms  Source
(S)-beta-MethylindolepyruvateKEGG COMPOUND
(S)-β-methylindolepyruvic acidChEBI
Registry NumbersSources
Beilstein:477499Beilstein