CHEBI:87419 - isoamyl propanoate

ChEBI IDCHEBI:87419
ChEBI Nameisoamyl propanoate
Stars
DefinitionA propanoate ester of isoamylol.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCC(=O)OCCC(C)C
InChIInChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyXAOGXQMKWQFZEM-UHFFFAOYSA-N
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)
isoamyl propanoate (CHEBI:87419) has functional parent isoamylol (CHEBI:15837)
isoamyl propanoate (CHEBI:87419) has role metabolite (CHEBI:25212)
isoamyl propanoate (CHEBI:87419) is a propanoate ester (CHEBI:36243)
IUPAC Name 
3-methylbutyl propanoate
Synonyms  Source
3-methylbutyl propionateChEBI
isopentyl propionateChEBI
isopentyl propanoateChemIDplus
Manual XrefsDatabases
HMDB0034164HMDB
Registry NumbersSources
Reaxys:1747359Reaxys
CAS:105-68-0ChemIDplus
CAS:105-68-0NIST Chemistry WebBook