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CHEBI:85235 - γ-caprolactone

ChEBI IDCHEBI:85235
ChEBI Nameγ-caprolactone
Stars
ASCII Namegamma-caprolactone
DefinitionA γ-lactone that is oxolan-2-one substituted by an ethyl group at position 5.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILESCCC1CCC(=O)O1
InChIInChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
InChIKeyJBFHTYHTHYHCDJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
γ-caprolactone (CHEBI:85235) has role human blood serum metabolite (CHEBI:85234)
γ-caprolactone (CHEBI:85235) is a butan-4-olide (CHEBI:22950)
IUPAC Name 
5-ethyloxolan-2-one
Synonyms  Source
gamma-EthylbutyrolactoneChemIDplus
6-CaprolactoneChemIDplus
gamma-Ethyl-n-butyrolactoneChemIDplus
4-HexanolideChemIDplus
4-Ethyl-4-butanolideChemIDplus
gamma-HexanolactoneChemIDplus
Manual XrefsDatabases
HMDB0003843HMDB
Registry NumbersSources
Reaxys:107260Reaxys
CAS:695-06-7ChemIDplus
CAS:695-06-7NIST Chemistry WebBook
Citations