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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:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
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 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