CHEBI:95115 - 4-hydroxy-4-methyloxan-2-one

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ChEBI Name 4-hydroxy-4-methyloxan-2-one
ChEBI ID CHEBI:95115
Definition A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a methyl and hydroxy group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H10O3
Net Charge 0
Average Mass 130.143
Monoisotopic Mass 130.06299
InChI InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
InChIKey JYVXNLLUYHCIIH-UHFFFAOYSA-N
SMILES CC1(O)CCOC(=O)C1
Metabolite of Species Details
Salvia miltiorrhiza (NCBI:txid226208) Found in Root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 4-hydroxy-4-methyloxan-2-one (CHEBI:95115) has role plant metabolite (CHEBI:76924)
4-hydroxy-4-methyloxan-2-one (CHEBI:95115) is a 2-pyranones (CHEBI:75885)
4-hydroxy-4-methyloxan-2-one (CHEBI:95115) is a tertiary alcohol (CHEBI:26878)
Incoming (R)-mevalonolactone (CHEBI:67849) is a 4-hydroxy-4-methyloxan-2-one (CHEBI:95115)
(S)-mevalonolactone (CHEBI:194428) is a 4-hydroxy-4-methyloxan-2-one (CHEBI:95115)
IUPAC Name
4-hydroxy-4-methyltetrahydro-2H-pyran-2-one
Synonym Source
4-hydroxy-4-methyl-2-oxanone ChEBI
Citation Waiting for Citations Type Source
31906298 PubMed citation Europe PMC
Last Modified
22 February 2023
General Comment
2023-02-22 This is the entry for material with unspecified stereochemistry. There are separate entries for the racemate (mevalonolactone) and its individual enantiomers, (R)- and (S)-mevalonolactone.