EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172007 - 5-Octen-2-one

Default Structure
ChEBI IDCHEBI:172007
ChEBI Name5-Octen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O
Net Charge0
Average Mass126.199
Monoisotopic Mass126.10447
SMILESCC/C=C\CCC(C)=O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKeyNBFKNCBRFJKDDR-PLNGDYQASA-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-Octen-2-one (CHEBI:172007) is a ketone (CHEBI:17087)
IUPAC Name 
(Z)-oct-5-en-2-one
Manual XrefsDatabases
4509610ChemSpider
HMDB0035390HMDB