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CHEBI:37054 - 3-hydroxybutyrate

ChEBI IDCHEBI:37054
ChEBI Name3-hydroxybutyrate
Stars
DefinitionA hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified28 April 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H7O3
Net Charge-1
Average Mass103.097
Monoisotopic Mass103.04007
SMILESCC(O)CC(=O)[O-]
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1
InChIKeyWHBMMWSBFZVSSR-UHFFFAOYSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-hydroxybutyrate (CHEBI:37054) has functional parent butyrate (CHEBI:17968)
3-hydroxybutyrate (CHEBI:37054) has role human metabolite (CHEBI:77746)
3-hydroxybutyrate (CHEBI:37054) is a 3-hydroxy fatty acid anion (CHEBI:84196)
3-hydroxybutyrate (CHEBI:37054) is conjugate base of 3-hydroxybutyric acid (CHEBI:20067)
Incoming Relation(s)
sodium 3-hydroxybutyrate (CHEBI:113373) has part 3-hydroxybutyrate (CHEBI:37054)
(R)-3-hydroxybutyrate (CHEBI:10983) is a 3-hydroxybutyrate (CHEBI:37054)
(S)-3-hydroxybutyrate (CHEBI:11047) is a 3-hydroxybutyrate (CHEBI:37054)
3-hydroxybutyric acid (CHEBI:20067) is conjugate acid of 3-hydroxybutyrate (CHEBI:37054)
IUPAC Name 
3-hydroxybutanoate
Synonyms  Source
3-OH butyrateChEBI
3-OH-butyrateChEBI
DL-3-hydroxybutyrateChEBI
β-hydroxybutanoateChEBI
β-hydroxy-n-butyrateChEBI
UniProt Name  Source
3-hydroxybutanoateUniProt
Registry NumbersSources
Reaxys:4127635Reaxys