CHEBI:87373 - pentyl propanoate

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ChEBI Name pentyl propanoate
ChEBI ID CHEBI:87373
Definition A propanoate ester of pentan-1-ol.
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/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
InChIKey TWSRVQVEYJNFKQ-UHFFFAOYSA-N
SMILES CCCCCOC(=O)CC
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentyl propanoate (CHEBI:87373) has functional parent pentan-1-ol (CHEBI:44884)
pentyl propanoate (CHEBI:87373) has role fungal metabolite (CHEBI:76946)
pentyl propanoate (CHEBI:87373) is a propanoate ester (CHEBI:36243)
IUPAC Name
pentyl propanoate
Synonyms Sources
amyl propionate ChEBI
n-pentyl propionate ChEBI
pentyl propanoate UniProt
propionic acid pentyl ester ChEBI
Registry Numbers Types Sources
1747102 Reaxys Registry Number Reaxys
624-54-4 CAS Registry Number NIST Chemistry WebBook
624-54-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
15691743 PubMed citation Europe PMC
Last Modified
04 September 2017