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CHEBI:31725 - isoamyl acetate

ChEBI IDCHEBI:31725
ChEBI Nameisoamyl acetate
Stars
DefinitionThe acetate ester of isoamylol.
Last Modified23 May 2019
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCC(=O)OCCC(C)C
InChIInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKeyMLFHJEHSLIIPHL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
isoamyl acetate (CHEBI:31725) has functional parent isoamylol (CHEBI:15837)
isoamyl acetate (CHEBI:31725) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isoamyl acetate (CHEBI:31725) has role metabolite (CHEBI:25212)
isoamyl acetate (CHEBI:31725) is a acetate ester (CHEBI:47622)
IUPAC Name 
3-methylbutyl acetate
Synonyms  Source
Isoamyl acetateKEGG COMPOUND
3-methyl-1-butanol acetateNIST Chemistry WebBook
CH3C(O)O(CH2)2CH(CH3)2NIST Chemistry WebBook
3-methyl-1-butyl acetateNIST Chemistry WebBook
3-methyl-but-1-yl acetateNIST Chemistry WebBook
β-methyl butyl acetateNIST Chemistry WebBook
UniProt Name  Source
3-methylbutyl acetateUniProt
Manual XrefsDatabases
C12296KEGG COMPOUND
Registry NumbersSources
Gmelin:101452Gmelin
Reaxys:1744750Reaxys
CAS:123-92-2KEGG COMPOUND
CAS:123-92-2NIST Chemistry WebBook
CAS:123-92-2ChemIDplus
Citations