EMBL-EBI | Chemical Biology | ChEBI

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

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

ChEBI IDCHEBI:95115
ChEBI Name4-hydroxy-4-methyloxan-2-one
Stars
DefinitionA member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a methyl and hydroxy group at position 4.
Last Modified22 February 2023
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCC1(O)CCOC(=O)C1
InChIInChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
InChIKeyJYVXNLLUYHCIIH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salvia miltiorrhiza (ncbitaxon:226208) Root (BTO:0001188) PubMed (31906298)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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-oxanoneChEBI
Citations