CHEBI:89761 - Butyl pentanoate

ChEBI IDCHEBI:89761
ChEBI NameButyl pentanoate
Stars
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCOC(=O)CCCC
InChIInChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3
InChIKeyOKJADYKTJJGKDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (17314143)
ChEBI Ontology
Outgoing Relation(s)
Butyl pentanoate (CHEBI:89761) is a fatty acid ester (CHEBI:35748)
Synonyms  Source
butyl pentanoateHMDB
Butyl valerateHMDB
Butyl valerianateHMDB
FEMA 2217HMDB
N-Butyl pentanoateHMDB
N-Butyl valerateHMDB
Manual XrefsDatabases
HMDB0040295HMDB
Registry NumbersSources
CAS:591-68-4KEGG COMPOUND
Citations