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CHEBI:50585 - 2-methylbutyl acetate

ChEBI IDCHEBI:50585
ChEBI Name2-methylbutyl acetate
Stars
DefinitionThe acetate ester of 2-methylbutan-1-ol.
Last Modified10 September 2020
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCC(C)COC(C)=O
InChIInChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKeyXHIUFYZDQBSEMF-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)
2-methylbutyl acetate (CHEBI:50585) has functional parent 2-methylbutan-1-ol (CHEBI:48945)
2-methylbutyl acetate (CHEBI:50585) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-methylbutyl acetate (CHEBI:50585) has role metabolite (CHEBI:25212)
2-methylbutyl acetate (CHEBI:50585) is a acetate ester (CHEBI:47622)
IUPAC Name 
2-methylbutyl acetate
Synonyms  Source
2-methyl-1-butanol acetateNIST Chemistry WebBook
2-methyl-1-butyl acetateChemIDplus
acetic acid 2-methylbutyl esterNIST Chemistry WebBook
2-methylbutanol acetateNIST Chemistry WebBook
UniProt Name  Source
2-methylbutyl acetateUniProt
Registry NumbersSources
Beilstein:1720551Beilstein
CAS:624-41-9NIST Chemistry WebBook
CAS:624-41-9ChemIDplus