CHEBI:19891 - 3,4-dihydroxyphenylpyruvic acid

ChEBI IDCHEBI:19891
ChEBI Name3,4-dihydroxyphenylpyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group.
Last Modified19 May 2023
DownloadsMolfile
FormulaC9H8O5
Net Charge0
Average Mass196.158
Monoisotopic Mass196.03717
SMILESO=C(O)C(=O)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)
InChIKeyLQQFFJFGLSKYIR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydroxyphenylpyruvic acid (CHEBI:19891) has functional parent pyruvic acid (CHEBI:32816)
3,4-dihydroxyphenylpyruvic acid (CHEBI:19891) has role metabolite (CHEBI:25212)
3,4-dihydroxyphenylpyruvic acid (CHEBI:19891) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3,4-dihydroxyphenylpyruvic acid (CHEBI:19891) is conjugate acid of 3,4-dihydroxyphenylpyruvate (CHEBI:29055)
Incoming Relation(s)
vanilpyruvic acid (CHEBI:88402) has functional parent 3,4-dihydroxyphenylpyruvic acid (CHEBI:19891)
3,4-dihydroxyphenylpyruvate (CHEBI:29055) is conjugate base of 3,4-dihydroxyphenylpyruvic acid (CHEBI:19891)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid
Synonyms  Source
DHPPAChemIDplus
3,4-dihydroxy-α-oxobenzenepropanoic acidChemIDplus
3,4-DihydroxyphenylpyruvateKEGG COMPOUND
Manual XrefsDatabases
C04045KEGG COMPOUND
Registry NumbersSources
Reaxys:2695044Reaxys
CAS:4228-66-4ChemIDplus
Citations