CHEBI:89726 - Octyl butanoate

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ChEBI Name Octyl butanoate
ChEBI ID CHEBI:89726
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H24O2
Net Charge 0
Average Mass 200.318
Monoisotopic Mass 200.17763
InChI InChI=1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3
InChIKey PWLNAUNEAKQYLH-UHFFFAOYSA-N
SMILES CCCCCCCCOC(CCC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Octyl butanoate (CHEBI:89726) is a carboxylic ester (CHEBI:33308)
IUPAC Name
octyl butanoate
Synonyms Sources
Butanoic acid, octyl ester HMDB
Butyric acid, octyl ester HMDB
Butyric acid, octyl ester (8CI) HMDB
FEMA 2807 HMDB
N-Octyl butanoate HMDB
N-Octyl butyrate HMDB
N-Octyl N-butyrate HMDB
Octyl butyrate HMDB
Manual Xref Database
HMDB0034136 HMDB
View more database links
Registry Number Type Source
110-39-4 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21970810 PubMed citation Europe PMC