Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:40:56 UTC
Update Date2022-08-12 20:09:12 UTC
Metabolite IDMMDBc0055058
Metabolite Identification
Common Name(S)-2-ethyl-2-hydroxy-3-oxobutanoic acid
Description(S)-2-acetyl-2-hydroxybutanoate, also known as (S)-2-hydroxy-2-ethyl-3-oxobutanoate, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms (S)-2-acetyl-2-hydroxybutanoate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on (S)-2-acetyl-2-hydroxybutanoate.
Structure
Synonyms
ValueSource
(S)-2-Aceto-2-hydroxybutanoateChEBI
(S)-2-Acetyl-2-hydroxybutyrateChEBI
(S)-2-Ethyl-2-hydroxy-3-oxobutanoateChEBI
(S)-2-Hydroxy-2-ethyl-3-oxobutanoateChEBI
(S)-2-Aceto-2-hydroxybutanoic acidGenerator
(S)-2-Acetyl-2-hydroxybutyric acidGenerator
(S)-2-Ethyl-2-hydroxy-3-oxobutanoic acidGenerator
(S)-2-Hydroxy-2-ethyl-3-oxobutanoic acidGenerator
(S)-2-Acetyl-2-hydroxybutanoic acidGenerator
Molecular FormulaC6H9O4
Average Mass145.135
Monoisotopic Mass145.05063235
IUPAC Name(2S)-2-ethyl-2-hydroxy-3-oxobutanoate
Traditional Name(S)-2-aceto-2-hydroxybutanoate
CAS Registry NumberNot Available
SMILES
CC[C@](O)(C(C)=O)C([O-])=O
InChI Identifier
InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/p-1/t6-/m0/s1
InChI KeyVUQLHQFKACOHNZ-LURJTMIESA-M