EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89726 - Octyl butanoate

ChEBI IDCHEBI:89726
ChEBI NameOctyl butanoate
Stars
DownloadsMolfile
FormulaC12H24O2
Net Charge0
Average Mass200.322
Monoisotopic Mass200.17763
SMILESCCCCCCCCOC(=O)CCC
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKeyPWLNAUNEAKQYLH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (21970810)
ChEBI Ontology
Outgoing Relation(s)
Octyl butanoate (CHEBI:89726) is a carboxylic ester (CHEBI:33308)
Synonyms  Source
Butanoic acid, octyl esterHMDB
Butyric acid, octyl esterHMDB
Butyric acid, octyl ester (8CI)HMDB
FEMA 2807HMDB
N-Octyl butanoateHMDB
N-Octyl butyrateHMDB
Manual XrefsDatabases
HMDB0034136HMDB
Registry NumbersSources
CAS:110-39-4KEGG COMPOUND
Citations