CHEBI:87419 - isoamyl propanoate

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ChEBI Name isoamyl propanoate
ChEBI ID CHEBI:87419
Definition A propanoate ester of isoamylol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H16O2
Net Charge 0
Average Mass 144.21140
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey XAOGXQMKWQFZEM-UHFFFAOYSA-N
SMILES CCC(=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.
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ChEBI Ontology
Outgoing isoamyl propanoate (CHEBI:87419) has functional parent isoamylol (CHEBI:15837)
isoamyl propanoate (CHEBI:87419) has role metabolite (CHEBI:25212)
isoamyl propanoate (CHEBI:87419) is a propanoate ester (CHEBI:36243)
IUPAC Name
3-methylbutyl propanoate
Synonyms Sources
3-methylbutyl propionate ChEBI
isopentyl propanoate ChemIDplus
isopentyl propionate ChEBI
Manual Xref Database
HMDB0034164 HMDB
View more database links
Registry Numbers Types Sources
105-68-0 CAS Registry Number NIST Chemistry WebBook
105-68-0 CAS Registry Number ChemIDplus
1747359 Reaxys Registry Number Reaxys
Last Modified
23 October 2015