CHEBI:89209 - Ethyl isobutyl ketone

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ChEBI Name Ethyl isobutyl ketone ChEBI ID CHEBI:89209 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 C7H14O Net Charge 0 Average Mass 114.186 Monoisotopic Mass 114.10447 InChI InChI=1S/C7H14O/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3 InChIKey DXVYLFHTJZWTRF-UHFFFAOYSA-N SMILES O=C(CC(C)C)CC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Ethyl isobutyl ketone (CHEBI:89209) is a ketone (CHEBI:17087) Synonyms Sources 2-Methyl-4-hexanone HMDB 5-Methyl-3-hexanone HMDB 5-methylhexan-3-one HMDB 5-Methylhexan-3-one HMDB Isobutyl ethyl ketone HMDB Manual Xref Database HMDB0005841 HMDB View more database links Registry Number Type Source 623-56-3 CAS Registry Number KEGG COMPOUND Citations Types Sources 17314143 PubMed citation Europe PMC 5556886 PubMed citation Europe PMC