CHEBI:89725 - Propyl 3-methylbutanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Propyl 3-methylbutanoate ChEBI ID CHEBI:89725 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 C8H16O2 Net Charge 0 Average Mass 144.212 Monoisotopic Mass 144.11503 InChI InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3 InChIKey LSJMDWFAADPNAX-UHFFFAOYSA-N SMILES CCCOC(CC(C)C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Propyl 3-methylbutanoate (CHEBI:89725) is a fatty acid ester (CHEBI:35748) Synonyms Sources 3-Methylbutanoic acid, propyl ester HMDB Butanoic acid, 3-methyl-, propyl ester HMDB Butanoic acid, 3-methyl-, propyl ester (9CI) HMDB FEMA 2960 HMDB Isovaleric acid, propyl ester HMDB N-Propyl iso-valerate HMDB propyl 3-methylbutanoate HMDB Propyl 3-methylbutyrate HMDB Propyl isopentanoate HMDB Propyl isovalerate HMDB Propyl isovalerianate HMDB Manual Xref Database HMDB0032047 HMDB View more database links Registry Number Type Source 557-00-6 CAS Registry Number KEGG COMPOUND Citation Type Source 23454028 PubMed citation Europe PMC