CHEBI:89723 - Butyl 3-methylbutanoate

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ChEBI Name Butyl 3-methylbutanoate ChEBI ID CHEBI:89723 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/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3 InChIKey AYWJSCLAAPJZEF-UHFFFAOYSA-N SMILES CCCCOC(CC(C)C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Butyl 3-methylbutanoate (CHEBI:89723) is a fatty acid ester (CHEBI:35748) Synonyms Sources 1-Butyl isovalerate HMDB Butanoic acid, 3-methyl-, butyl ester HMDB butyl 3-methylbutanoate HMDB Butyl 3-methylbutyrate HMDB Butyl isopentanoate HMDB Butyl isovalerate HMDB Butyl isovalerianate HMDB FEMA 2218 HMDB N-Butyl 3-methylbutanoate HMDB N-Butyl isopentanoate HMDB N-Butyl isovalerate HMDB Manual Xref Database HMDB0032042 HMDB View more database links Registry Number Type Source 109-19-3 CAS Registry Number KEGG COMPOUND Citation Type Source 23454028 PubMed citation Europe PMC