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CHEBI:172022 - 5-Methyl-5-hepten-2-one

ChEBI IDCHEBI:172022
ChEBI Name5-Methyl-5-hepten-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESC/C=C(/C)CCC(C)=O
InChIInChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4-
InChIKeyUBAUYTYZPNZXIM-DAXSKMNVSA-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)
5-Methyl-5-hepten-2-one (CHEBI:172022) is a ketone (CHEBI:17087)
IUPAC Name 
(Z)-5-methylhept-5-en-2-one
Manual XrefsDatabases
HMDB0031591HMDB
30776910ChemSpider