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CHEBI:172026 - 4-Octen-3-one

ChEBI IDCHEBI:172026
ChEBI Name4-Octen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCCC/C=C/C(=O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKeyJPTOCTSNXXKSSN-VOTSOKGWSA-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-Octen-3-one (CHEBI:172026) is a enone (CHEBI:51689)
IUPAC Name 
(E)-oct-4-en-3-one
Manual XrefsDatabases
4520211ChemSpider
HMDB0032451HMDB
Registry NumbersSources
CAS:69065-31-2ChemIDplus