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CHEBI:132292 - 4-propoxy-2-butanone

Default Structure
ChEBI IDCHEBI:132292
ChEBI Name4-propoxy-2-butanone
Stars
DefinitionA ketone that is 4-hydroxy-2-butanone in which the hydroxy hydrogen has been replaced by a propyl group.
Last Modified12 January 2017
SubmitterKeeva
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCOCCC(C)=O
InChIInChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3-6H2,1-2H3
InChIKeyCTGMQDUXYKIIBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida DOT-T1E (ncbitaxon:1196325) - MetaboLights (MTBLS319)
ChEBI Ontology
Outgoing Relation(s)
4-propoxy-2-butanone (CHEBI:132292) is a ether (CHEBI:25698)
4-propoxy-2-butanone (CHEBI:132292) is a ketone (CHEBI:17087)
IUPAC Name 
4-propoxybutan-2-one
Manual XrefsDatabases
468374ChemSpider
Registry NumbersSources
Reaxys:1744795Reaxys