CHEBI:74122 - (3S)-3-methyl-2-oxo-3-phenylpropanoic acid

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ChEBI Name (3S)-3-methyl-2-oxo-3-phenylpropanoic acid
ChEBI ID CHEBI:74122
ChEBI ASCII Name (3S)-3-methyl-2-oxo-3-phenylpropanoic acid
Definition A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are substituted by phenyl and methyl groups (the S-enantiomer).
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/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m0/s1
InChIKey AXLLOSUYAVXOIN-ZETCQYMHSA-N
SMILES C[C@H](C(=O)C(O)=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 (3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122) has functional parent pyruvic acid (CHEBI:32816)
(3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122) is a 2-oxo monocarboxylic acid (CHEBI:35910)
(3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122) is conjugate acid of (3S)-3-methyl-2-oxo-3-phenylpropanoate (CHEBI:74119)
Incoming (3S)-3-methyl-2-oxo-3-phenylpropanoate (CHEBI:74119) is conjugate base of (3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122)
IUPAC Name
(3S)-2-oxo-3-phenylbutanoic acid
Synonyms Sources
(3S)-2-keto-3-phenylbutanoic acid ChEBI
(3S)-2-keto-3-phenylbutyric acid ChEBI
(3S)-2-oxo-3-phenylbutyric acid ChEBI
(3S)-3-methyl-2-keto-3-phenylpropanoic acid ChEBI
(3S)-3-methyl-2-keto-3-phenylpropionic acid ChEBI
(3S)-3-methyl-2-oxo-3-phenylpropanoic acid ChEBI
(3S)-3-methyl-2-oxo-3-phenylpropionic acid ChEBI
(3S)-β-methyl-phenylpyruvic acid ChEBI
Manual Xref Database
CPD-15344 MetaCyc
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Citation Waiting for Citations Type Source
19731276 PubMed citation Europe PMC
Last Modified
14 June 2013