CHEBI:28759 - 3-oxo-3-phenylpropionic acid

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ChEBI Name 3-oxo-3-phenylpropionic acid
ChEBI ID CHEBI:28759
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3036
Supplier Information
Download Molfile XML SDF
Formula C9H8O3
Net Charge 0
Average Mass 164.15802
Monoisotopic Mass 164.04734
InChI InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey HXUIDZOMTRMIOE-UHFFFAOYSA-N
SMILES OC(=O)CC(=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-oxo-3-phenylpropionic acid (CHEBI:28759) is a 3-oxo monocarboxylic acid (CHEBI:47881)
3-oxo-3-phenylpropionic acid (CHEBI:28759) is conjugate acid of 3-oxo-3-phenylpropionate (CHEBI:22731)
Incoming benzoylacetyl-CoA (CHEBI:27388) has functional parent 3-oxo-3-phenylpropionic acid (CHEBI:28759)
3-oxo-3-phenylpropionate (CHEBI:22731) is conjugate base of 3-oxo-3-phenylpropionic acid (CHEBI:28759)
IUPAC Name
3-oxo-3-phenylpropanoic acid
Synonyms Sources
3-keto-3-phenylpropionic acid ChemIDplus
benzoylacetic acid ChEBI
Manual Xref Database
C07114 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2058740 Gmelin Registry Number Gmelin
2207336 Beilstein Registry Number Beilstein
614-20-0 CAS Registry Number ChemIDplus
Last Modified
22 July 2011