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CHEBI:91180 - (R)-3-(indol-3-yl)-2-oxobutyrate

ChEBI IDCHEBI:91180
ChEBI Name(R)-3-(indol-3-yl)-2-oxobutyrate
Stars
ASCII Name(R)-3-(indol-3-yl)-2-oxobutyrate
DefinitionA 2-oxo monocarboxylic acid anion that is the conjugate base of (R)-3-(indol-3-yl)-2-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified16 July 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H10NO3
Net Charge-1
Average Mass216.216
Monoisotopic Mass216.06662
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)/p-1/t7-/m1/s1
InChIKeyVSANSNPZLCXLRK-SSDOTTSWSA-M
ChEBI Ontology
Outgoing Relation(s)
(R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
(R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180) is conjugate base of (R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106)
(R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180) is enantiomer of (S)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:57633)
Incoming Relation(s)
(R)-3-(indol-3-yl)-2-oxobutyric acid (CHEBI:112106) is conjugate acid of (R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180)
(S)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:57633) is enantiomer of (R)-3-(indol-3-yl)-2-oxobutyrate (CHEBI:91180)
IUPAC Name 
(3R)-3-(1H-indol-3-yl)-2-oxobutanoate
UniProt Name  Source
(R)-3-(indol-3-yl)-2-oxobutanoateUniProt
Manual XrefsDatabases
CPD-398MetaCyc
Citations