CHEBI:171802 - 4,6-Nonadecanedione

ChEBI IDCHEBI:171802
ChEBI Name4,6-Nonadecanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H36O2
Net Charge0
Average Mass296.495
Monoisotopic Mass296.27153
SMILESCCCCCCCCCCCCCC(=O)CC(=O)CCC
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3
InChIKeyASSQAPAKOQZNJP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
4,6-Nonadecanedione (CHEBI:171802) is a β-diketone (CHEBI:67265)
IUPAC Name 
nonadecane-4,6-dione
Manual XrefsDatabases
30777134ChemSpider
HMDB0035575HMDB