CHEBI:89769 - Propyl pentanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Propyl pentanoate
ChEBI ID CHEBI:89769
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C8H16O2
Net Charge 0
Average Mass 144.212
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
InChIKey ROJKPKOYARNFNB-UHFFFAOYSA-N
SMILES CCCCC(=O)OCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Propyl pentanoate (CHEBI:89769) is a fatty acid ester (CHEBI:35748)
IUPAC Name
propyl pentanoate
Synonyms Sources
N-Propyl N-valerate HMDB
N-Propyl pentanoate HMDB
N-Propyl valerate HMDB
Pentanoic acid, propyl ester HMDB
Pentanoic acid, propyl ester (9CI) HMDB
Propyl valerate HMDB
Valeric acid, propyl ester HMDB
Valeric acid, propyl ester (8CI) HMDB
Manual Xref Database
HMDB0040296 HMDB
View more database links
Registry Number Type Source
141-06-0 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
17314143 PubMed citation Europe PMC