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

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ChEBI Name (R)-3-(indol-3-yl)-2-oxobutyrate ChEBI ID CHEBI:91180 ChEBI ASCII Name (R)-3-(indol-3-yl)-2-oxobutyrate Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H10NO3 Net Charge -1 Average Mass 216.213 Monoisotopic Mass 216.06662 InChI InChI=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 InChIKey VSANSNPZLCXLRK-SSDOTTSWSA-M SMILES C12=CC=CC=C1C(=CN2)[C@@H](C)C(C([O-])=O)=O ChEBI Ontology Outgoing (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 (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 Synonym Source (R)-3-(indol-3-yl)-2-oxobutanoate UniProt Manual Xref Database CPD-398 MetaCyc View more database links Citation Type Source 25730866 PubMed citation SUBMITTER Last Modified 16 July 2016