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CHEBI:82344 - Methyl isobutyl ketone

Default Structure
ChEBI IDCHEBI:82344
ChEBI NameMethyl isobutyl ketone
Stars
Last Modified25 September 2023
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILESCC(=O)CC(C)C
InChIInChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChIKeyNTIZESTWPVYFNL-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (17314143)
urine (BTO:0001419) PubMed (22284503)
saliva (UBERON:0001836) PubMed (24657864)
ChEBI Ontology
Outgoing Relation(s)
Methyl isobutyl ketone (CHEBI:82344) is a ketone (CHEBI:17087)
Synonyms  Source
2-Methyl-4-pentanalHMDB
2-Methyl-4-pentanoneHMDB
2-Methylpropyl methyl ketoneHMDB
4-Methyl-2-oxopentaneHMDB
4-Methyl-2-pentanonHMDB
4-Methyl-2-pentanoneHMDB
UniProt Name  Source
4-methylpentan-2-oneUniProt
Manual XrefsDatabases
1303PPDB
C19263KEGG COMPOUND
D04989KEGG DRUG
HMDB0002939HMDB
Methyl isobutyl ketoneWikipedia
Registry NumbersSources
CAS:108-10-1KEGG COMPOUND
Citations