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

ChEBI IDCHEBI:74122
ChEBI Name(3S)-3-methyl-2-oxo-3-phenylpropanoic acid
Stars
ASCII Name(3S)-3-methyl-2-oxo-3-phenylpropanoic acid
DefinitionA 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).
Last Modified14 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESC[C@H](C(=O)C(=O)O)c1ccccc1
InChIInChI=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
InChIKeyAXLLOSUYAVXOIN-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(3S)-2-keto-3-phenylbutanoic acidChEBI
(3S)-2-keto-3-phenylbutyric acidChEBI
(3S)-3-methyl-2-keto-3-phenylpropionic acidChEBI
(3S)-2-oxo-3-phenylbutyric acidChEBI
(3S)-β-methyl-phenylpyruvic acidChEBI
(3S)-3-methyl-2-oxo-3-phenylpropanoic acidChEBI
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