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.
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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)
IUPAC Name
4-methylpentan-2-one
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 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
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Registry Number Type Source
108-10-1 CAS Registry Number KEGG COMPOUND
Citations Waiting for 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
23 October 2015