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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxy-6-pentylpyran-2-one
ChEBI ID CHEBI:66958
Definition A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and pentyl groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C10H14O3
Net Charge 0
Average Mass 182.217
Monoisotopic Mass 182.09429
InChI InChI=1S/C10H14O3/c1-2-3-4-5-9-6-8(11)7-10(12)13-9/h6-7,11H,2-5H2,1H3
InChIKey YIXLDRQOKWESBI-UHFFFAOYSA-N
SMILES C1(C=C(C=C(O1)CCCCC)O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-hydroxy-6-pentyl-2-pyran-2-one ChEBI
4-hydroxy-6-pentylpyran-2-one UniProt
PDAL SUBMITTER
pentyldiacetic acid lactone ChEBI
Registry Number Type Source
4402254 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22802619 PubMed citation SUBMITTER
Last Modified
11 May 2016