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CHEBI:87330 - 2-methylbutyl decanoate
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ChEBI Name
2-methylbutyl decanoate
ChEBI ID
CHEBI:87330
Definition
A decanoate ester obtained by the formal condensation of the carboxy group of decanoic acid (capric acid) with the alcoholic hydroxy group of 2-methylbutan-1-ol.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C15H30O2
Net Charge
0
Average Mass
242.398
Monoisotopic Mass
242.22458
InChI
InChI=1S/C15H30O2/c1-4-6-7-8-9-10-11-12-15(16)17-13-14(3)5-2/h14H,4-13H2,1-3H3
InChIKey
JRJPVFOFQVUVLG-UHFFFAOYSA-N
SMILES
O(CC(C)CC)C(CCCCCCCCC)=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
2-methylbutyl decanoate (
CHEBI:87330
)
has functional parent
2-methylbutan-1-ol (
CHEBI:48945
)
2-methylbutyl decanoate (
CHEBI:87330
)
has role
metabolite (
CHEBI:25212
)
2-methylbutyl decanoate (
CHEBI:87330
)
is a
decanoate ester (
CHEBI:87658
)
IUPAC Name
2-methylbutyl decanoate
Registry Number
Type
Source
28168284
Reaxys Registry Number
Reaxys
Last Modified
03 September 2015