CHEBI:66959 - 4-hydroxy-6-(2-oxoheptyl)pyran-2-one

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ChEBI Name 4-hydroxy-6-(2-oxoheptyl)pyran-2-one
ChEBI ID CHEBI:66959
Definition A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C12H16O4
Net Charge 0
Average Mass 224.254
Monoisotopic Mass 224.10486
InChI InChI=1S/C12H16O4/c1-2-3-4-5-9(13)6-11-7-10(14)8-12(15)16-11/h7-8,14H,2-6H2,1H3
InChIKey GHURLXDGHMZIGJ-UHFFFAOYSA-N
SMILES C1(C=C(C=C(O1)CC(CCCCC)=O)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.
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ChEBI Ontology
Outgoing 4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) has role metabolite (CHEBI:25212)
4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) is a 2-pyranones (CHEBI:75885)
4-hydroxy-6-(2-oxoheptyl)pyran-2-one (CHEBI:66959) is a polyketide (CHEBI:26188)
IUPAC Name
4-hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one
Synonyms Sources
4-hydroxy-6-(2-oxoheptyl)-2-pyranone ChEBI
hexanoyltriacetic acid lactone ChEBI
HTAL SUBMITTER
Registry Number Type Source
9915653 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22802619 PubMed citation SUBMITTER
Last Modified
11 May 2016