CHEBI:134475 - 5,7-icosanedione

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ChEBI Name 5,7-icosanedione
ChEBI ID CHEBI:134475
Definition A β-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H38O2
Net Charge 0
Average Mass 310.515
Monoisotopic Mass 310.28718
InChI InChI=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
InChIKey CJHBQGYRPYRMEB-UHFFFAOYSA-N
SMILES C(CCCCCCCCCCCC(CC(CCCC)=O)=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
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ChEBI Ontology
Outgoing 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 Sources
5,7-eicosanedione ChEBI
eicosane-5,7-dione ChEBI
Manual Xref Database
HMDB0035573 HMDB
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Last Modified
03 July 2017