CHEBI:87685 - ethyl 3-hydroxybutyrate

ChEBI IDCHEBI:87685
ChEBI Nameethyl 3-hydroxybutyrate
Stars
DefinitionThe fatty acid ethyl ester of 3-hydroxybutyric acid.
Last Modified27 August 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O3
Net Charge0
Average Mass132.159
Monoisotopic Mass132.07864
SMILESCCOC(=O)CC(C)O
InChIInChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKeyOMSUIQOIVADKIM-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-hydroxybutyrate (CHEBI:87685) has functional parent 3-hydroxybutyric acid (CHEBI:20067)
ethyl 3-hydroxybutyrate (CHEBI:87685) has role metabolite (CHEBI:25212)
ethyl 3-hydroxybutyrate (CHEBI:87685) is a fatty acid ethyl ester (CHEBI:78206)
Incoming Relation(s)
ethyl (R)-3-hydroxybutanoate (CHEBI:28707) is a ethyl 3-hydroxybutyrate (CHEBI:87685)
IUPAC Name 
ethyl 3-hydroxybutanoate
Synonym  Source
ethyl β-hydroxybutyrateChemIDplus
Manual XrefsDatabases
HMDB0040409HMDB
Registry NumbersSources
Reaxys:1446190Reaxys
CAS:5405-41-4ChemIDplus
CAS:5405-41-4NIST Chemistry WebBook
Citations