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CHEBI:185068 - Henicosane-4,6-dione

ChEBI IDCHEBI:185068
ChEBI NameHenicosane-4,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O2
Net Charge0
Average Mass324.549
Monoisotopic Mass324.30283
SMILESCCCCCCCCCCCCCCCC(=O)CC(=O)CCC
InChIInChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h3-19H2,1-2H3
InChIKeyQTRYUTJOIDZDOP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
Henicosane-4,6-dione (CHEBI:185068) is a β-diketone (CHEBI:67265)
IUPAC Name 
henicosane-4,6-dione
Manual XrefsDatabases
HMDB0035571HMDB
30777131ChemSpider