CHEBI:132292 - 4-propoxy-2-butanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-propoxy-2-butanone
ChEBI ID CHEBI:132292
Definition A ketone that is 4-hydroxy-2-butanone in which the hydroxy hydrogen has been replaced by a propyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H14O2
Net Charge 0
Average Mass 130.185
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-3-5-9-6-4-7(2)8/h3-6H2,1-2H3
InChIKey CTGMQDUXYKIIBU-UHFFFAOYSA-N
SMILES CCCOCCC(C)=O
Metabolite of Species Details
Pseudomonas putida DOT-T1E (NCBI:txid1196325) See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
468374 ChemSpider
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Registry Number Type Source
1744795 Reaxys Registry Number Reaxys
Last Modified
12 January 2017