Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:95115 - 4-hydroxy-4-methyloxan-2-one
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-hydroxy-4-methyloxan-2-one
ChEBI ID
CHEBI:95115
Definition
A member of the class of 2-pyranones that is tetrahydro-2
H
-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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
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-2
H
-pyran-2-one
Synonym
Source
4-hydroxy-4-methyl-2-oxanone
ChEBI
Citation
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.