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CHEBI:172028 - 3-Methyl-3-hepten-2-one

ChEBI IDCHEBI:172028
ChEBI Name3-Methyl-3-hepten-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCCC/C=C(\C)C(C)=O
InChIInChI=1S/C8H14O/c1-4-5-6-7(2)8(3)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyIZBMUZVSTLWUTH-VOTSOKGWSA-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)
3-Methyl-3-hepten-2-one (CHEBI:172028) is a enone (CHEBI:51689)
IUPAC Name 
(E)-3-methylhept-3-en-2-one
Manual XrefsDatabases
4516934ChemSpider
HMDB0031590HMDB
Registry NumbersSources
CAS:39899-08-6ChemIDplus