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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:23997 - ethyl 3-hydroxyhexanoate
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ChEBI Name
ethyl 3-hydroxyhexanoate
ChEBI ID
CHEBI:23997
Definition
A fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H16O3
Net Charge
0
Average Mass
160.21080
Monoisotopic Mass
160.10994
InChI
InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
InChIKey
LYRIITRHDCNUHV-UHFFFAOYSA-N
SMILES
CCCC(O)CC(=O)OCC
ChEBI Ontology
Outgoing
ethyl 3-hydroxyhexanoate (
CHEBI:23997
)
has functional parent
3-hydroxyhexanoic acid (
CHEBI:37035
)
ethyl 3-hydroxyhexanoate (
CHEBI:23997
)
is a
fatty acid ethyl ester (
CHEBI:78206
)
Incoming
ethyl (
R
)-3-hydroxyhexanoate (
CHEBI:16641
)
is a
ethyl 3-hydroxyhexanoate (
CHEBI:23997
)
ethyl (
S
)-3-hydroxyhexanoate (
CHEBI:16036
)
is a
ethyl 3-hydroxyhexanoate (
CHEBI:23997
)
IUPAC Name
ethyl 3-hydroxyhexanoate
Registry Numbers
Types
Sources
1756736
Reaxys Registry Number
Reaxys
2305-25-1
CAS Registry Number
ChemIDplus
Last Modified
02 March 2015