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> Main
CHEBI:87685 - ethyl 3-hydroxybutyrate
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ChEBI Ontology
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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.
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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.
View more via ChEBI Ontology
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
View more database links
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
Types
Sources
24830411
PubMed citation
Europe PMC
26098542
PubMed citation
Europe PMC
Last Modified
27 August 2015