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ChEBI
> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
Types
Sources
11712905
PubMed citation
Europe PMC
7840564
PubMed citation
Europe PMC
Last Modified
30 April 2012