CHEBI:89761 - Butyl pentanoate

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ChEBI Name Butyl pentanoate ChEBI ID CHEBI:89761 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H18O2 Net Charge 0 Average Mass 158.238 Monoisotopic Mass 158.13068 InChI InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 InChIKey OKJADYKTJJGKDX-UHFFFAOYSA-N SMILES CCCCC(=O)OCCCC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Butyl pentanoate (CHEBI:89761) is a fatty acid ester (CHEBI:35748) Synonyms Sources butyl pentanoate HMDB Butyl valerate HMDB Butyl valerianate HMDB FEMA 2217 HMDB N-Butyl pentanoate HMDB N-Butyl valerate HMDB Pentanoic acid, butyl ester HMDB Valeric acid, butyl ester HMDB Manual Xref Database HMDB0040295 HMDB View more database links Registry Number Type Source 591-68-4 CAS Registry Number KEGG COMPOUND Citation Type Source 17314143 PubMed citation Europe PMC