CHEBI:87685 - ethyl 3-hydroxybutyrate

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ChEBI Name ethyl 3-hydroxybutyrate
ChEBI ID CHEBI:87685
Definition The fatty acid ethyl ester of 3-hydroxybutyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O3
Net Charge 0
Average Mass 132.158
Monoisotopic Mass 132.07864
InChI InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N
SMILES C(C(=O)OCC)C(C)O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 ethyl (R)-3-hydroxybutanoate (CHEBI:28707) is a ethyl 3-hydroxybutyrate (CHEBI:87685)
IUPAC Name
ethyl 3-hydroxybutanoate
Synonym Source
ethyl β-hydroxybutyrate ChemIDplus
Manual Xref Database
HMDB0040409 HMDB
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Registry Numbers Types Sources
1446190 Reaxys Registry Number Reaxys
5405-41-4 CAS Registry Number NIST Chemistry WebBook
5405-41-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24830411 PubMed citation Europe PMC
26098542 PubMed citation Europe PMC
Last Modified
27 August 2015