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

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ChEBI Name 3-(indol-3-yl)-2-oxobutyric acid ChEBI ID CHEBI:28549 Definition A 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1607, CHEBI:20136 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 C12H11NO3 Net Charge 0 Average Mass 217.22068 Monoisotopic Mass 217.07389 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) InChIKey VSANSNPZLCXLRK-UHFFFAOYSA-N SMILES CC(C(=O)C(O)=O)c1c[nH]c2ccccc12 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 (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-Methylindolepyruvate KEGG COMPOUND Manual Xref Database C05644 KEGG COMPOUND View more database links Registry Number Type Source 477498 Beilstein Registry Number Beilstein Last Modified 11 April 2016