CHEBI:78554 - 2-methyl-3-hydroxybutyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methyl-3-hydroxybutyrate
ChEBI ID CHEBI:78554
Definition A hydroxy fatty acid anion that is the conjugate base of 2-methyl-3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C5H9O3
Net Charge -1
Average Mass 117.12370
Monoisotopic Mass 117.05572
InChI InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1
InChIKey VEXDRERIMPLZLU-UHFFFAOYSA-M
SMILES CC(O)C(C)C([O-])=O
ChEBI Ontology
Outgoing 2-methyl-3-hydroxybutyrate (CHEBI:78554) has functional parent butyrate (CHEBI:17968)
2-methyl-3-hydroxybutyrate (CHEBI:78554) is a hydroxy fatty acid anion (CHEBI:59835)
2-methyl-3-hydroxybutyrate (CHEBI:78554) is conjugate base of 3-hydroxy-2-methylbutanoic acid (CHEBI:37051)
Incoming (2S,3S)-3-hydroxy-2-methylbutanoate (CHEBI:78559) is a 2-methyl-3-hydroxybutyrate (CHEBI:78554)
3-hydroxy-2-methylbutanoic acid (CHEBI:37051) is conjugate acid of 2-methyl-3-hydroxybutyrate (CHEBI:78554)
IUPAC Name
3-hydroxy-2-methylbutanoate
Synonyms Sources
2-methyl-3-hydroxybutanoate UniProt
3-hydroxy-2-methylbutyrate ChEBI
Last Modified
04 August 2014