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CHEBI:230622 - 5,7-Octacosanedione

ChEBI IDCHEBI:230622
ChEBI Name5,7-Octacosanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H54O2
Net Charge0
Average Mass422.738
Monoisotopic Mass422.41238
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC
InChIInChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-27(29)24-6-4-2/h3-26H2,1-2H3
InChIKeyXIHNOSKPPDYAGE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
5,7-Octacosanedione (CHEBI:230622) is a β-diketone (CHEBI:67265)
IUPAC Name 
octacosane-5,7-dione
Manual XrefsDatabases
30777107ChemSpider
HMDB0035544HMDB