EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230634 - 4,6-Pentacosanedione

ChEBI IDCHEBI:230634
ChEBI Name4,6-Pentacosanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H48O2
Net Charge0
Average Mass380.657
Monoisotopic Mass380.36543
SMILESCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC
InChIInChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(27)23-24(26)21-4-2/h3-23H2,1-2H3
InChIKeyOHQHRHJGILPHCW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
4,6-Pentacosanedione (CHEBI:230634) is a β-diketone (CHEBI:67265)
IUPAC Name 
pentacosane-4,6-dione
Manual XrefsDatabases
HMDB0035558HMDB
30777120ChemSpider