CHEBI:173338 - 3-Methylbutyrolactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Methylbutyrolactone
ChEBI ID CHEBI:173338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H8O2
Net Charge 0
Average Mass 100.117
Monoisotopic Mass 100.05243
InChI InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
InChIKey ALZLTHLQMAFAPA-UHFFFAOYSA-N
SMILES O1CC(CC1=O)C
ChEBI Ontology
Outgoing 3-Methylbutyrolactone (CHEBI:173338) is a γ-lactone (CHEBI:37581)
IUPAC Name
4-methyloxolan-2-one
Manual Xrefs Databases
88906 ChemSpider
HMDB0002167 HMDB
View more database links
Registry Number Type Source
1679-49-8 CAS Registry Number ChemIDplus