EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229322 - 2,5-Dimethylcyclohexanone

ChEBI IDCHEBI:229322
ChEBI Name2,5-Dimethylcyclohexanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC1CCC(C)C(=O)C1
InChIInChI=1S/C8H14O/c1-6-3-4-7(2)8(9)5-6/h6-7H,3-5H2,1-2H3
InChIKeyLUGFNAYTNQMMMY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
2,5-Dimethylcyclohexanone (CHEBI:229322) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
2,5-dimethylcyclohexan-1-one
Manual XrefsDatabases
456262ChemSpider