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CHEBI:171737 - 2,4-Heptadecanedione

ChEBI IDCHEBI:171737
ChEBI Name2,4-Heptadecanedione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H32O2
Net Charge0
Average Mass268.441
Monoisotopic Mass268.24023
SMILESCCCCCCCCCCCCCC(=O)CC(C)=O
InChIInChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16(2)18/h3-15H2,1-2H3
InChIKeyVZRNDOSIHXJXCH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
2,4-Heptadecanedione (CHEBI:171737) is a β-diketone (CHEBI:67265)
IUPAC Name 
heptadecane-2,4-dione
Manual XrefsDatabases
104040ChemSpider
HMDB0040888HMDB
Registry NumbersSources
CAS:64042-18-8ChemIDplus