EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:229404 - 6,7-Dodecanedione

ChEBI IDCHEBI:229404
ChEBI Name6,7-Dodecanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESCCCCCC(=O)C(=O)CCCCC
InChIInChI=1S/C12H22O2/c1-3-5-7-9-11(13)12(14)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyHGPCKXFCLDLIFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8958)
ChEBI Ontology
Outgoing Relation(s)
6,7-Dodecanedione (CHEBI:229404) is a α-diketone (CHEBI:51869)
IUPAC Name 
dodecane-6,7-dione
Manual XrefsDatabases
24464ChemSpider