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CHEBI:16472 - pentan-2-one

ChEBI IDCHEBI:16472
ChEBI Namepentan-2-one
Stars
DefinitionA pentanone carrying an oxo substituent at position 2.
Secondary ChEBI IDsCHEBI:7978, CHEBI:14748, CHEBI:25886
Last Modified23 October 2015
DownloadsMolfile
FormulaC5H10O
Net Charge0
Average Mass86.134
Monoisotopic Mass86.07316
SMILESCCCC(C)=O
InChIInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
InChIKeyXNLICIUVMPYHGG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pentan-2-one (CHEBI:16472) has role plant metabolite (CHEBI:76924)
pentan-2-one (CHEBI:16472) is a methyl ketone (CHEBI:51867)
pentan-2-one (CHEBI:16472) is a pentanone (CHEBI:25892)
Incoming Relation(s)
1-hydroxy-4-methylpentan-2-one (CHEBI:195499) has functional parent pentan-2-one (CHEBI:16472)
IUPAC Name 
pentan-2-one
Synonyms  Source
Pentan-2-oneKEGG COMPOUND
2-PentanoneKEGG COMPOUND
Methyl propyl ketoneKEGG COMPOUND
2-pentanoneChEBI
UniProt Name  Source
pentan-2-oneUniProt
Manual XrefsDatabases
C01949KEGG COMPOUND
C01949KEGG COMPOUND
LMFA12000003LIPID MAPS
Pentan-2-oneWikipedia
PENTAN-2-ONEMetaCyc
HMDB0034235HMDB
PNHPDBeChem
Registry NumbersSources
Reaxys:506058Reaxys
CAS:107-87-9KEGG COMPOUND
CAS:107-87-9ChemIDplus
CAS:107-87-9NIST Chemistry WebBook
Citations