CHEBI:82344 - Methyl isobutyl ketone

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ChEBI Name Methyl isobutyl ketone ChEBI ID CHEBI:82344 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 Wikipedia License Read full article at Wikipedia Formula C6H12O Net Charge 0 Average Mass 100.15890 Monoisotopic Mass 100.08882 InChI InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 InChIKey NTIZESTWPVYFNL-UHFFFAOYSA-N SMILES CC(C)CC(C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing Methyl isobutyl ketone (CHEBI:82344) is a ketone (CHEBI:17087) Synonyms Sources 2-Methyl-4-pentanal HMDB 2-Methyl-4-pentanone HMDB 2-Methylpropyl methyl ketone HMDB 4-Methyl-2-oxopentane HMDB 4-Methyl-2-pentanon HMDB 4-Methyl-2-pentanone HMDB 4-Methyl-pentan-2-on HMDB 4-methylpentan-2-one UniProt 4-methylpentan-2-one HMDB 4-Methylpentan-2-one HMDB 4-Metilpentan-2-one HMDB Ethyl iso-butyl ketone HMDB Hexanone HMDB Hexon HMDB Hexone HMDB Isobutyl methyl ketone HMDB Isobutyl-methylketon HMDB Isohexanone HMDB Isopropyl acetone HMDB Isopropylacetone HMDB Methyl I-butyl ketone HMDB Methyl-isobutyl-cetone HMDB Methylisobutylketon HMDB Methylpentan-2-one HMDB Metilisobutilchetone HMDB Metyloizobutyloketon HMDB Shell mibk HMDB Manual Xrefs Databases 1303 PPDB C19263 KEGG COMPOUND D04989 KEGG DRUG HMDB0002939 HMDB Methyl isobutyl ketone Wikipedia View more database links Registry Number Type Source 108-10-1 CAS Registry Number KEGG COMPOUND Citations Types Sources 12592578 PubMed citation Europe PMC 16464817 PubMed citation Europe PMC 17314143 PubMed citation Europe PMC 17485256 PubMed citation Europe PMC 22284503 PubMed citation Europe PMC 24657864 PubMed citation Europe PMC 5556886 PubMed citation Europe PMC 7987494 PubMed citation Europe PMC Last Modified 25 September 2023