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> Main
CHEBI:50585 - 2-methylbutyl acetate
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ChEBI Name
2-methylbutyl acetate
ChEBI ID
CHEBI:50585
Definition
The acetate ester of 2-methylbutan-1-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H14O2
Net Charge
0
Average Mass
130.18486
Monoisotopic Mass
130.09938
InChI
InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey
XHIUFYZDQBSEMF-UHFFFAOYSA-N
SMILES
CCC(C)COC(C)=O
Metabolite of Species
Details
Saccharomyces cerevisiae
(NCBI:txid4932)
Source: yeast.sf.net See:
PubMed
Roles Classification
Biological Role
(s):
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
Sources
2-methyl-1-butanol acetate
NIST Chemistry WebBook
2-methyl-1-butyl acetate
ChemIDplus
2-methylbutanol acetate
NIST Chemistry WebBook
2-methylbutyl acetate
UniProt
acetic acid 2-methylbutyl ester
NIST Chemistry WebBook
Registry Numbers
Types
Sources
1720551
Beilstein Registry Number
Beilstein
624-41-9
CAS Registry Number
ChemIDplus
624-41-9
CAS Registry Number
NIST Chemistry WebBook
Last Modified
10 September 2020