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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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.
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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
Manual Xrefs Databases
HMDB0033620 HMDB
LMFA07010419 LIPID MAPS
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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 Waiting for Citations Types Sources
24390623 PubMed citation Europe PMC
25973902 PubMed citation Europe PMC
Last Modified
23 October 2015