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CHEBI:15999 - 4-hydroxyphenylpyruvic acid

ChEBI IDCHEBI:15999
ChEBI Name4-hydroxyphenylpyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
Secondary ChEBI IDsCHEBI:1431, CHEBI:20426, CHEBI:42422
Last Modified26 March 2021
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESO=C(O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKeyKKADPXVIOXHVKN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxyphenylpyruvic acid (CHEBI:15999) has functional parent pyruvic acid (CHEBI:32816)
4-hydroxyphenylpyruvic acid (CHEBI:15999) has role human metabolite (CHEBI:77746)
4-hydroxyphenylpyruvic acid (CHEBI:15999) is a 2-oxo monocarboxylic acid (CHEBI:35910)
4-hydroxyphenylpyruvic acid (CHEBI:15999) is a phenols (CHEBI:33853)
4-hydroxyphenylpyruvic acid (CHEBI:15999) is conjugate acid of 3-(4-hydroxyphenyl)pyruvate (CHEBI:36242)
Incoming Relation(s)
4-hydroxyphenylpyruvic acid oxime (CHEBI:131385) has functional parent 4-hydroxyphenylpyruvic acid (CHEBI:15999)
3-(4-hydroxyphenyl)pyruvate (CHEBI:36242) is conjugate base of 4-hydroxyphenylpyruvic acid (CHEBI:15999)
IUPAC Name 
3-(4-hydroxyphenyl)-2-oxopropanoic acid
Synonyms  Source
p-Hydroxyphenylpyruvic acidKEGG COMPOUND
4-hydroxyphenylpyruvic acidChEBI
3-(4-hydroxyphenyl)pyruvic acidChEBI
3-(4-HYDROXY-PHENYL)PYRUVIC ACIDPDBeChem
3-(p-hydroxyphenyl)-2-oxopropanoic acidNIST Chemistry WebBook
(p-hydroxyphenyl)pyruvic acidNIST Chemistry WebBook
Manual XrefsDatabases
C01179KEGG COMPOUND
ENOPDBeChem
DB07718DrugBank
HMDB0000707HMDB
P-HYDROXY-PHENYLPYRUVATEMetaCyc
C00007512KNApSAcK
4-Hydroxyphenylpyruvic_acidWikipedia
Registry NumbersSources
Reaxys:2691632Reaxys
CAS:156-39-8KEGG COMPOUND
CAS:156-39-8NIST Chemistry WebBook
CAS:156-39-8ChemIDplus
Citations