CHEBI:87684 - pentyl butyrate

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ChEBI Name pentyl butyrate
ChEBI ID CHEBI:87684
Definition The butyrate ester of pentan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.238
Monoisotopic Mass 158.131
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
SMILES C(C(=O)OCCCCC)CC
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.
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ChEBI Ontology
Outgoing pentyl butyrate (CHEBI:87684) has functional parent pentan-1-ol (CHEBI:44884)
pentyl butyrate (CHEBI:87684) has role metabolite (CHEBI:25212)
pentyl butyrate (CHEBI:87684) is a butyrate ester (CHEBI:50477)
IUPAC Name
pentyl butanoate
Synonyms Sources
Amyl butanoate ChemIDplus
Amyl butyrate ChemIDplus
n-Amyl butyrate ChemIDplus
Database Link Database
HMDB0034162 HMDB
View more database links
Registry Numbers Types Sources
1752307 Reaxys Registry Number Reaxys
540-18-1 CAS Registry Number NIST Chemistry WebBook
540-18-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21887525 PubMed citation Europe PMC
Last Modified
27 August 2015