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CHEBI:167143 - 5-Hepten-2-one

Default Structure
ChEBI IDCHEBI:167143
ChEBI Name5-Hepten-2-one
Stars
Last Modified31 October 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILESC/C=C/CCC(C)=O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyRTYRONIMTRDBLT-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Cheese (NCIT:C178207) MetaboLights (MTBLS1509) Strain: Lacaune [LBO:0001072]
ChEBI Ontology
Outgoing Relation(s)
5-Hepten-2-one (CHEBI:167143) is a ketone (CHEBI:17087)
IUPAC Name 
(E)-hept-5-en-2-one
Manual XrefsDatabases
4515499ChemSpider
LMFA12000110LIPID MAPS
Registry NumbersSources
CAS:1071-94-9ChemIDplus