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CHEBI:16545 - 5-valerolactone

ChEBI IDCHEBI:16545
ChEBI Name5-valerolactone
Stars
DefinitionThe simplest member of the class of δ-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2.
Secondary ChEBI IDsCHEBI:2127, CHEBI:12166, CHEBI:20632
Last Modified4 August 2015
DownloadsMolfile
FormulaC5H8O2
Net Charge0
Average Mass100.117
Monoisotopic Mass100.05243
SMILESO=C1CCCCO1
InChIInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
InChIKeyOZJPLYNZGCXSJM-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
5-valerolactone (CHEBI:16545) has parent hydride oxane (CHEBI:46941)
5-valerolactone (CHEBI:16545) is a δ-lactone (CHEBI:18946)
Incoming Relation(s)
2-[(1E)-3,4-dihydroxypent-1-en-1-yl]-6-oxooxan-3-yl (2E)-2-methylbut-2-enoate (CHEBI:141403) has functional parent 5-valerolactone (CHEBI:16545)
6-pentyloxan-2-one (CHEBI:87327) has functional parent 5-valerolactone (CHEBI:16545)
IUPAC Name 
tetrahydro-2H-pyran-2-one
Synonyms  Source
5-ValerolactoneKEGG COMPOUND
delta-ValerolactoneKEGG COMPOUND
UniProt Name  Source
5-valerolactoneUniProt
Manual XrefsDatabases
C02240KEGG COMPOUND
C02240KEGG COMPOUND
5-VALEROLACTONEMetaCyc
Delta-ValerolactoneWikipedia
US2011237806Patent
Registry NumbersSources
Reaxys:106436Reaxys
CAS:542-28-9KEGG COMPOUND
CAS:542-28-9ChemIDplus
CAS:542-28-9NIST Chemistry WebBook
Citations