EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:88432 - 5-methyl-2-hexanone

ChEBI IDCHEBI:88432
ChEBI Name5-methyl-2-hexanone
Stars
Last Modified10 November 2016
DownloadsMolfile
FormulaC7H14O
Net Charge0
Average Mass114.188
Monoisotopic Mass114.10447
SMILESCC(=O)CCC(C)C
InChIInChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKeyFFWSICBKRCICMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (17314143)
urine (BTO:0001419) PubMed (24023812)
saliva (UBERON:0001836) PubMed (24421258)
ChEBI Ontology
Outgoing Relation(s)
5-methyl-2-hexanone (CHEBI:88432) is a ketone (CHEBI:17087)
Incoming Relation(s)
5-methylhexan-2-one oxime (CHEBI:131376) has functional parent 5-methyl-2-hexanone (CHEBI:88432)
IUPAC Name 
5-methylhexan-2-one
Synonyms  Source
2-hexanone-5-methylHMDB
Methyl isoamyl ketoneHMDB
Isoamyl methyl ketoneHMDB
Methyl isopentyl ketoneHMDB
5-Methylhexan-2-oneHMDB
Ketone, methyl isoamylHMDB
Manual XrefsDatabases
HMDB0031549HMDB
Registry NumbersSources
CAS:110-12-3KEGG COMPOUND
Citations