CHEBI:15999 - 4-hydroxyphenylpyruvic acid

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ChEBI Name 4-hydroxyphenylpyruvic acid
ChEBI ID CHEBI:15999
Definition A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20426, CHEBI:42422, CHEBI:1431
Supplier Information ChemicalBook:CB3138601, eMolecules:478955, ZINC000000895711
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Formula C9H8O4
Net Charge 0
Average Mass 180.159
Monoisotopic Mass 180.04226
InChI InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKey KKADPXVIOXHVKN-UHFFFAOYSA-N
SMILES OC(=O)C(=O)CC1=CC=C(O)C=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 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 Sources
(4-hydroxyphenyl)pyruvic acid ChEBI
(p-hydroxyphenyl)pyruvic acid NIST Chemistry WebBook
3-(4-HYDROXY-PHENYL)PYRUVIC ACID PDBeChem
3-(4-hydroxyphenyl)pyruvic acid ChEBI
3-(p-hydroxyphenyl)-2-oxopropanoic acid NIST Chemistry WebBook
4-hydroxy α-oxobenzenepropanoic acid ChemIDplus
4-hydroxyphenylpyruvic acid ChEBI
p-Hydroxyphenylpyruvic acid KEGG COMPOUND
Manual Xrefs Databases
4-Hydroxyphenylpyruvic_acid Wikipedia
C00007512 KNApSAcK
C01179 KEGG COMPOUND
DB07718 DrugBank
ENO PDBeChem
HMDB0000707 HMDB
P-HYDROXY-PHENYLPYRUVATE MetaCyc
View more database links
Registry Numbers Types Sources
156-39-8 CAS Registry Number NIST Chemistry WebBook
156-39-8 CAS Registry Number ChemIDplus
2691632 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
26 March 2021