CHEBI:87422 - isoamyl butyrate

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ChEBI Name isoamyl butyrate
ChEBI ID CHEBI:87422
Definition The butanoate ester of isoamylol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H18O2
Net Charge 0
Average Mass 158.23800
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey PQLMXFQTAMDXIZ-UHFFFAOYSA-N
SMILES CCCC(=O)OCCC(C)C
Roles Classification
Biological Role(s): 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 butyrate (CHEBI:87422) has functional parent isoamylol (CHEBI:15837)
isoamyl butyrate (CHEBI:87422) has role metabolite (CHEBI:25212)
isoamyl butyrate (CHEBI:87422) is a butyrate ester (CHEBI:50477)
IUPAC Name
3-methylbutyl butanoate
Synonyms Sources
butyric acid isopentyl ester ChEBI
Isoamyl butanoate ChemIDplus
Isopentyl butanoate ChemIDplus
isopentyl butyrate ChEBI
Manual Xref Database
HMDB0040221 HMDB
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Registry Numbers Types Sources
106-27-4 CAS Registry Number ChemIDplus
106-27-4 CAS Registry Number NIST Chemistry WebBook
1702557 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25236191 PubMed citation Europe PMC
25935327 PubMed citation Europe PMC
Last Modified
23 October 2015