EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42639 - γ-butyrolactone

Default Structure
ChEBI IDCHEBI:42639
ChEBI Nameγ-butyrolactone
Stars
ASCII Namegamma-butyrolactone
DefinitionA butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.
Secondary ChEBI IDsCHEBI:18871, CHEBI:42636
Last Modified23 October 2015
DownloadsMolfile
FormulaC4H6O2
Net Charge0
Average Mass86.090
Monoisotopic Mass86.03678
SMILESO=C1CCCO1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKeyYEJRWHAVMIAJKC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
neurotoxin  A poison that interferes with the functions of the nervous system.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
γ-butyrolactone (CHEBI:42639) has role metabolite (CHEBI:25212)
γ-butyrolactone (CHEBI:42639) has role neurotoxin (CHEBI:50910)
γ-butyrolactone (CHEBI:42639) is a butan-4-olide (CHEBI:22950)
Incoming Relation(s)
(3R,4R)-4-(hydroxymethyl)-3-(6-methylheptanoyl)oxolan-2-one (CHEBI:73982) has functional parent γ-butyrolactone (CHEBI:42639)
4-butyl-γ-butyrolactone (CHEBI:87416) has functional parent γ-butyrolactone (CHEBI:42639)
5-ethoxydihydro-2(3H)-furanone (CHEBI:87307) has functional parent γ-butyrolactone (CHEBI:42639)
podorhizol (CHEBI:37394) has functional parent γ-butyrolactone (CHEBI:42639)
IUPAC Name 
dihydrofuran-2(3H)-one
Synonyms  Source
1,2-butanolideUM-BBD
1,4-ButanolideUM-BBD
1,4-LactoneKEGG COMPOUND
4-ButyrolactoneUM-BBD
4-Deoxytetronic acidUM-BBD
4-Hydroxybutyric acid lactoneUM-BBD
UniProt Name  Source
γ-butyrolactoneUniProt
Manual XrefsDatabases
c0033UM-BBD
C01770KEGG COMPOUND
DB04699DrugBank
Gamma-ButyrolactoneWikipedia
GBLPDBeChem
HMDB0000549HMDB
Registry NumbersSources
Reaxys:105248Reaxys
CAS:96-48-0ChemIDplus
CAS:96-48-0NIST Chemistry WebBook
CAS:96-48-0KEGG COMPOUND
Citations