EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:17915 - hexano-6-lactone

ChEBI IDCHEBI:17915
ChEBI Namehexano-6-lactone
Stars
DefinitionA ε-lactone that is oxepane substituted by an oxo group at position 2.
Secondary ChEBI IDsCHEBI:2186, CHEBI:12214, CHEBI:20720
Last Modified16 July 2015
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILESO=C1CCCCCO1
InChIInChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChIKeyPAPBSGBWRJIAAV-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
hexano-6-lactone (CHEBI:17915) is a ε-lactone (CHEBI:50239)
Incoming Relation(s)
2-methylhexano-6-lactone (CHEBI:663) has functional parent hexano-6-lactone (CHEBI:17915)
IUPAC Name 
oxepan-2-one
Synonyms  Source
6-HexanolideKEGG COMPOUND
1-Oxa-2-oxocycloheptaneKEGG COMPOUND
epsilon-CaprolactoneKEGG COMPOUND
2-OxepanoneKEGG COMPOUND
hexano-6-lactoneIUBMB
hexano-6-lactoneKEGG COMPOUND
UniProt Name  Source
hexano-6-lactoneUniProt
Manual XrefsDatabases
C01880KEGG COMPOUND
c0059UM-BBD
CPD-101MetaCyc
CaprolactoneWikipedia
HMDB0060476HMDB
Registry NumbersSources
Gmelin:675457Gmelin
Reaxys:106919Reaxys
CAS:502-44-3KEGG COMPOUND
CAS:502-44-3ChemIDplus
CAS:502-44-3NIST Chemistry WebBook
Citations