CHEBI:27681 - (S)-2-acetyl-2-hydroxybutanoic acid

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ChEBI Name (S)-2-acetyl-2-hydroxybutanoic acid
ChEBI ID CHEBI:27681
ChEBI ASCII Name (S)-2-acetyl-2-hydroxybutanoic acid
Definition A 3-oxo monocarboxylic acid that is butanoic acid in which the hydrogens at position 2 are replaced by an acetyl and a hydroxy group (the S enantiomer).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:373, CHEBI:18730
Supplier Information
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Formula C6H10O4
Net Charge 0
Average Mass 146.14120
Monoisotopic Mass 146.058
InChI InChI=1S/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKey VUQLHQFKACOHNZ-LURJTMIESA-N
SMILES CC[C@](O)(C(C)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681) has functional parent butyric acid (CHEBI:30772)
(S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681) is a 3-oxo monocarboxylic acid (CHEBI:47881)
(S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681) is a hydroxy monocarboxylic acid (CHEBI:35868)
(S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681) is conjugate acid of (S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256)
Incoming (S)-2-acetyl-2-hydroxybutanoate (CHEBI:49256) is conjugate base of (S)-2-acetyl-2-hydroxybutanoic acid (CHEBI:27681)
IUPAC Name
(2S)-2-ethyl-2-hydroxy-3-oxobutanoic acid
Synonym Source
(S)-2-acetyl-2-hydroxybutyric acid ChEBI
Database Link Database
C06006 KEGG COMPOUND
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Last Modified
28 January 2013