CHEBI:31725 - isoamyl acetate

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ChEBI Name isoamyl acetate
ChEBI ID CHEBI:31725
Definition The acetate ester of isoamylol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7178555, eMolecules:478809, ZINC000000388082
Download Molfile XML SDF
Formula C7H14O2
Net Charge 0
Average Mass 130.18486
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey MLFHJEHSLIIPHL-UHFFFAOYSA-N
SMILES CC(C)CCOC(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 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 Sources
3-methyl-1-butanol acetate NIST Chemistry WebBook
3-methyl-1-butyl acetate NIST Chemistry WebBook
3-methyl-but-1-yl acetate NIST Chemistry WebBook
3-methylbutyl acetate UniProt
3-methylbutyl ethanoate ChemIDplus
acétate d'isoamyle ChEBI
acétate d'isopentyle ChEBI
acétate de 3-méthylbutyle ChEBI
acetic acid, 3-methylbutyl ester ChemIDplus
acetic acid, isopentyl ester ChemIDplus
amylacetic ester ChemIDplus
β-methyl butyl acetate NIST Chemistry WebBook
CH3C(O)O(CH2)2CH(CH3)2 NIST Chemistry WebBook
i-amyl acetate NIST Chemistry WebBook
Isoamyl acetate KEGG COMPOUND
isoamyl ethanoate ChemIDplus
Isoamylacetat ChEBI
Isoamylazetat ChEBI
isopentyl acetate ChemIDplus
isopentyl ethanoate ChemIDplus
Manual Xref Database
C12296 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
101452 Gmelin Registry Number Gmelin
123-92-2 CAS Registry Number KEGG COMPOUND
123-92-2 CAS Registry Number ChemIDplus
123-92-2 CAS Registry Number NIST Chemistry WebBook
1744750 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
23 May 2019