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CHEBI:50585 - 2-methylbutyl acetate

Default Structure
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:
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)
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
2-methylbutanol acetateNIST Chemistry WebBook
acetic acid 2-methylbutyl esterNIST Chemistry WebBook
UniProt Name  Source
2-methylbutyl acetateUniProt
Registry NumbersSources
Beilstein:1720551Beilstein
CAS:624-41-9NIST Chemistry WebBook
CAS:624-41-9ChemIDplus