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CHEBI:87429 - butyl butanoate

ChEBI IDCHEBI:87429
ChEBI Namebutyl butanoate
Stars
DefinitionA butanoate ester of butan-1-ol.
Last Modified7 July 2020
Submitternamrata
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCCCOC(=O)CCC
InChIInChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKeyXUPYJHCZDLZNFP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
butyl butanoate (CHEBI:87429) has functional parent butan-1-ol (CHEBI:28885)
butyl butanoate (CHEBI:87429) has role metabolite (CHEBI:25212)
butyl butanoate (CHEBI:87429) is a butyrate ester (CHEBI:50477)
IUPAC Name 
butyl butanoate
Synonyms  Source
n-butyric n-butyl esterChemIDplus
n-butyl butanoateChEBI
n-butyl butyrateChEBI
UniProt Name  Source
butyl butanoateUniProt
Manual XrefsDatabases
HMDB0039620HMDB
Butyl_butyrateWikipedia
Registry NumbersSources
Reaxys:1747101Reaxys
CAS:109-21-7ChemIDplus
CAS:109-21-7NIST Chemistry WebBook
Citations