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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 2
H
-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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Molfile
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.
View more via ChEBI Ontology
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)-2
H
-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
Type
Source
22802619
PubMed citation
SUBMITTER
Last Modified
11 May 2016