CHEBI:74119 - (3S)-3-methyl-2-oxo-3-phenylpropanoate

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ChEBI Name (3S)-3-methyl-2-oxo-3-phenylpropanoate
ChEBI ID CHEBI:74119
ChEBI ASCII Name (3S)-3-methyl-2-oxo-3-phenylpropanoate
Definition A 2-oxo monocarboxylic acid anion that is the conjugate base of (3S)-3-methyl-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C10H9O3
Net Charge -1
Average Mass 177.17670
Monoisotopic Mass 177.055
InChI InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/p-1/t7-/m0/s1
InChIKey AXLLOSUYAVXOIN-ZETCQYMHSA-M
SMILES C[C@H](C(=O)C([O-])=O)c1ccccc1
ChEBI Ontology
Outgoing (3S)-3-methyl-2-oxo-3-phenylpropanoate (CHEBI:74119) is a 2-oxo monocarboxylic acid anion (CHEBI:35179)
(3S)-3-methyl-2-oxo-3-phenylpropanoate (CHEBI:74119) is conjugate base of (3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122)
Incoming (3S)-3-methyl-2-oxo-3-phenylpropanoic acid (CHEBI:74122) is conjugate acid of (3S)-3-methyl-2-oxo-3-phenylpropanoate (CHEBI:74119)
IUPAC Name
(3S)-2-oxo-3-phenylbutanoate
Synonyms Sources
(3S)-2-keto-3-phenylbutanoate ChEBI
(3S)-2-keto-3-phenylbutyrate ChEBI
(3S)-2-oxo-3-phenylbutanoate UniProt
(3S)-2-oxo-3-phenylbutyrate ChEBI
(3S)-3-methyl-2-keto-3-phenylpropanoate ChEBI
(3S)-3-methyl-2-keto-3-phenylpropionate ChEBI
(3S)-3-methyl-2-oxo-3-phenylpropionate ChEBI
(3S)-β-methyl-phenylpyruvate MetaCyc
Manual Xref Database
CPD-15344 MetaCyc
View more database links
Citation Waiting for Citations Type Source
19731276 PubMed citation SUBMITTER
Last Modified
03 January 2014