CHEBI:64437 - 4-oxo-4-phenylbutyric acid

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ChEBI Name 4-oxo-4-phenylbutyric acid
ChEBI ID CHEBI:64437
Definition A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H10O3
Net Charge 0
Average Mass 178.18460
Monoisotopic Mass 178.06299
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
SMILES OC(=O)CCC(=O)c1ccccc1
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): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-oxo-4-phenylbutyric acid (CHEBI:64437) has functional parent butyric acid (CHEBI:30772)
4-oxo-4-phenylbutyric acid (CHEBI:64437) has role hapten (CHEBI:59174)
4-oxo-4-phenylbutyric acid (CHEBI:64437) is a 4-oxo monocarboxylic acid (CHEBI:35950)
IUPAC Name
4-oxo-4-phenylbutanoic acid
Synonyms Sources
3-Benzoylpropanoic acid ChemIDplus
3-Benzoylpropionic acid ChemIDplus
Benzoylpropionic acid ChemIDplus
beta-Benzoylpropionic acid ChemIDplus
Registry Numbers Types Sources
2051-95-8 CAS Registry Number ChemIDplus
639757 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11712905 PubMed citation Europe PMC
7840564 PubMed citation Europe PMC
Last Modified
30 April 2012