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CHEBI:134474 - 6,8-icosanedione

ChEBI IDCHEBI:134474
ChEBI Name6,8-icosanedione
Stars
DefinitionA β-diketone that is icosane in which the methylene hydrogens at positions 6 and 8 have been replaced by oxo groups.
Last Modified3 July 2017
SubmitterKeeva
DownloadsMolfile
FormulaC20H38O2
Net Charge0
Average Mass310.522
Monoisotopic Mass310.28718
SMILESCCCCCCCCCCCCC(=O)CC(=O)CCCCC
InChIInChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-15-17-20(22)18-19(21)16-14-6-4-2/h3-18H2,1-2H3
InChIKeyRPQVHNSWIOVYEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
6,8-icosanedione (CHEBI:134474) has parent hydride icosane (CHEBI:43619)
6,8-icosanedione (CHEBI:134474) has role mouse metabolite (CHEBI:75771)
6,8-icosanedione (CHEBI:134474) has role rat metabolite (CHEBI:86264)
6,8-icosanedione (CHEBI:134474) is a β-diketone (CHEBI:67265)
IUPAC Name 
icosane-6,8-dione
Synonyms  Source
6,8-eicosanedioneChEBI
eicosane-6,8-dioneChEBI
Manual XrefsDatabases
HMDB0035572HMDB