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CHEBI:49256 - (S)-2-acetyl-2-hydroxybutanoate

ChEBI IDCHEBI:49256
ChEBI Name(S)-2-acetyl-2-hydroxybutanoate
Stars
ASCII Name(S)-2-acetyl-2-hydroxybutanoate
Last Modified25 October 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H9O4
Net Charge-1
Average Mass145.134
Monoisotopic Mass145.05063
SMILESCC[C@](O)(C(C)=O)C(=O)[O-]
InChIInChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/p-1/t6-/m0/s1
InChIKeyVUQLHQFKACOHNZ-LURJTMIESA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) has functional parent butyrate (CHEBI:17968)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) is conjugate base of (S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681)
Incoming Relation(s)
(S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681) is conjugate acid of (S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256)
IUPAC Name 
(2S)-2-ethyl-2-hydroxy-3-oxobutanoate
Synonyms  Source
(S)-2-acetyl-2-hydroxybutyrateChEBI
(S)-2-Aceto-2-hydroxybutanoateKEGG COMPOUND
(S)-2-Hydroxy-2-ethyl-3-oxobutanoateKEGG COMPOUND
UniProt Name  Source
(S)-2-ethyl-2-hydroxy-3-oxobutanoateUniProt
Manual XrefsDatabases
C06006KEGG COMPOUND
Registry NumbersSources
Beilstein:3604112Beilstein