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CHEBI:89206 - 2-Oxohexane

ChEBI IDCHEBI:89206
ChEBI Name2-Oxohexane
Stars
Last Modified21 July 2023
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILESCCCCC(C)=O
InChIInChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
InChIKeyQQZOPKMRPOGIEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (17314143)
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
2-Oxohexane (CHEBI:89206) is a ketone (CHEBI:17087)
Synonyms  Source
2-HexanoneHMDB
2-Hexanone Methyl N-butyl ketoneHMDB
MNBKHMDB
Hexan-2-oneHMDB
Butyl methyl ketoneHMDB
PropylacetoneHMDB
UniProt Name  Source
hexan-2-oneUniProt
Manual XrefsDatabases
HMDB0005842HMDB
2K-ADIPATEMetaCyc
Registry NumbersSources
CAS:591-78-6KEGG COMPOUND
Citations