Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:54:42 UTC
Update Date2022-08-31 18:26:18 UTC
Metabolite IDMMDBc0031913
Metabolite Identification
Common Name3-Oxoacyl-CoA
DescriptionA group of coenzymes involved in the metabolism of fatty acids
Structure
Synonyms
ValueSource
(3S)-2-Keto-3-phenylbutanoic acidChEBI
(3S)-2-Keto-3-phenylbutyric acidChEBI
(3S)-2-oxo-3-Phenylbutyric acidChEBI
(3S)-3-Methyl-2-keto-3-phenylpropanoic acidChEBI
(3S)-3-Methyl-2-keto-3-phenylpropionic acidChEBI
(3S)-3-Methyl-2-oxo-3-phenylpropionic acidChEBI
(3S)-beta-Methyl-phenylpyruvic acidChEBI
(3S)-2-Keto-3-phenylbutanoateGenerator
(3S)-2-Keto-3-phenylbutyrateGenerator
(3S)-2-oxo-3-PhenylbutyrateGenerator
(3S)-3-Methyl-2-keto-3-phenylpropanoateGenerator
(3S)-3-Methyl-2-keto-3-phenylpropionateGenerator
(3S)-3-Methyl-2-oxo-3-phenylpropionateGenerator
(3S)-b-Methyl-phenylpyruvateGenerator
(3S)-b-Methyl-phenylpyruvic acidGenerator
(3S)-beta-Methyl-phenylpyruvateGenerator
(3S)-Β-methyl-phenylpyruvateGenerator
(3S)-Β-methyl-phenylpyruvic acidGenerator
(3S)-3-Methyl-2-oxo-3-phenylpropanoateGenerator
Molecular FormulaC10H10O3
Average Mass178.187
Monoisotopic Mass178.062994182
IUPAC Name(3S)-2-oxo-3-phenylbutanoic acid
Traditional Name(3S)-2-oxo-3-phenylbutanoic acid
CAS Registry NumberNot Available
SMILES
C[C@H](C(=O)C(O)=O)C1=CC=CC=C1
InChI Identifier
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
InChI KeyAXLLOSUYAVXOIN-ZETCQYMHSA-N