EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66958 - 4-hydroxy-6-pentylpyran-2-one

ChEBI IDCHEBI:66958
ChEBI Name4-hydroxy-6-pentylpyran-2-one
Stars
DefinitionA pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively.
Last Modified11 May 2016
SubmitterKAX
DownloadsMolfile
FormulaC10H14O3
Net Charge0
Average Mass182.219
Monoisotopic Mass182.09429
SMILESCCCCCc1cc(O)cc(=O)o1
InChIInChI=1S/C10H14O3/c1-2-3-4-5-9-6-8(11)7-10(12)13-9/h6-7,11H,2-5H2,1H3
InChIKeyYIXLDRQOKWESBI-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-6-pentylpyran-2-one (CHEBI:66958) has role metabolite (CHEBI:25212)
4-hydroxy-6-pentylpyran-2-one (CHEBI:66958) is a 2-pyranones (CHEBI:75885)
4-hydroxy-6-pentylpyran-2-one (CHEBI:66958) is a polyketide (CHEBI:26188)
Synonyms  Source
PDALSUBMITTER
pentyldiacetic acid lactoneChEBI
4-hydroxy-6-pentyl-2-pyran-2-oneChEBI
UniProt Name  Source
4-hydroxy-6-pentylpyran-2-oneUniProt
Registry NumbersSources
Reaxys:4402254Reaxys
Citations