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CHEBI:87390 - 3-oxobutyl acetate
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ChEBI Name
3-oxobutyl acetate
ChEBI ID
CHEBI:87390
Definition
An acetate ester that is butyl acetate substituted by an oxo group at position 3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H10O3
Net Charge
0
Average Mass
130.14180
Monoisotopic Mass
130.06299
InChI
InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
InChIKey
NWCYECXHIYEBJE-UHFFFAOYSA-N
SMILES
CC(=O)CCOC(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
3-oxobutyl acetate (
CHEBI:87390
)
has functional parent
butyl acetate (
CHEBI:31328
)
3-oxobutyl acetate (
CHEBI:87390
)
has role
metabolite (
CHEBI:25212
)
3-oxobutyl acetate (
CHEBI:87390
)
is a
acetate ester (
CHEBI:47622
)
IUPAC Name
3-oxobutyl acetate
Registry Number
Type
Source
1754095
Reaxys Registry Number
Reaxys
Last Modified
28 August 2015