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CHEBI:134475 - 5,7-icosanedione

ChEBI IDCHEBI:134475
ChEBI Name5,7-icosanedione
Stars
DefinitionA β-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups.
Last Modified3 July 2017
SubmitterKeeva
DownloadsMolfile
FormulaC20H38O2
Net Charge0
Average Mass310.522
Monoisotopic Mass310.28718
SMILESCCCCCCCCCCCCCC(=O)CC(=O)CCCC
InChIInChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-6-4-2/h3-18H2,1-2H3
InChIKeyCJHBQGYRPYRMEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - 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)
5,7-icosanedione (CHEBI:134475) has parent hydride icosane (CHEBI:43619)
5,7-icosanedione (CHEBI:134475) has role mouse metabolite (CHEBI:75771)
5,7-icosanedione (CHEBI:134475) has role rat metabolite (CHEBI:86264)
5,7-icosanedione (CHEBI:134475) is a β-diketone (CHEBI:67265)
IUPAC Name 
icosane-5,7-dione
Synonyms  Source
eicosane-5,7-dioneChEBI
5,7-eicosanedioneChEBI
Manual XrefsDatabases
HMDB0035573HMDB