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CHEBI:87559 - hexyl butyrate
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ChEBI Name
hexyl butyrate
ChEBI ID
CHEBI:87559
Definition
A fatty acid ester obtained by the formal condensation of hexanol with butyric acid.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H20O2
Net Charge
0
Average Mass
172.26460
Monoisotopic Mass
172.14633
InChI
InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey
XAPCMTMQBXLDBB-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)CCC
Roles Classification
Biological Role
(s):
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hexyl butyrate (
CHEBI:87559
)
has functional parent
butyric acid (
CHEBI:30772
)
hexyl butyrate (
CHEBI:87559
)
has functional parent
hexan-1-ol (
CHEBI:87393
)
hexyl butyrate (
CHEBI:87559
)
has role
animal metabolite (
CHEBI:75767
)
hexyl butyrate (
CHEBI:87559
)
is a
fatty acid ester (
CHEBI:35748
)
IUPAC Name
hexyl butanoate
Synonym
Source
hexyl butanoate
UniProt
Manual Xrefs
Databases
HMDB0033620
HMDB
LMFA07010419
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1754469
Reaxys Registry Number
Reaxys
2639-63-6
CAS Registry Number
ChemIDplus
2639-63-6
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
24390623
PubMed citation
Europe PMC
25973902
PubMed citation
Europe PMC
Last Modified
10 September 2020