CHEBI:87536 - 3-methylbutyl octanoate

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ChEBI Name 3-methylbutyl octanoate
Definition A fatty acid ester obtained by the formal condensation of isoamylol with caprylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H26O2
Net Charge 0
Average Mass 214.34430
Monoisotopic Mass 214.19328
InChI InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
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.
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ChEBI Ontology
Outgoing 3-methylbutyl octanoate (CHEBI:87536) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl octanoate (CHEBI:87536) has functional parent octanoic acid (CHEBI:28837)
3-methylbutyl octanoate (CHEBI:87536) has role metabolite (CHEBI:25212)
3-methylbutyl octanoate (CHEBI:87536) is a fatty acid ester (CHEBI:35748)
3-methylbutyl octanoate
Synonyms Sources
isoamyl caprylate ChEBI
isoamyl octanoate ChEBI
isopentyl octanoate ChEBI
octanoic acid isopentyl ester ChEBI
Manual Xref Database
HMDB0038729 HMDB
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Registry Numbers Types Sources
1767760 Reaxys Registry Number Reaxys
2035-99-6 CAS Registry Number NIST Chemistry WebBook
2035-99-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
25307564 PubMed citation Europe PMC
Last Modified
18 August 2015