CHEBI:48569 - γ-valerolactone

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ChEBI Name γ-valerolactone
ChEBI ID CHEBI:48569
ChEBI ASCII Name gamma-valerolactone
Definition A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C5H8O2
Net Charge 0
Average Mass 100.11582
Monoisotopic Mass 100.052
InChI InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
InChIKey GAEKPEKOJKCEMS-UHFFFAOYSA-N
SMILES CC1CCC(=O)O1
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing γ-valerolactone (CHEBI:48569) has role flavouring agent (CHEBI:35617)
γ-valerolactone (CHEBI:48569) has role human xenobiotic metabolite (CHEBI:76967)
γ-valerolactone (CHEBI:48569) is a butan-4-olide (CHEBI:22950)
Incoming 5-(3',4',5'-trihydroxyphenyl)-γ-valerolactone (CHEBI:134255) has functional parent γ-valerolactone (CHEBI:48569)
5-(3',4'-dihydroxyphenyl)-γ-valerolactone 3'-O-sulfate (CHEBI:134254) has functional parent γ-valerolactone (CHEBI:48569)
(R)-γ-valerolactone (CHEBI:48570) is a γ-valerolactone (CHEBI:48569)
(S)-γ-valerolactone (CHEBI:48571) is a γ-valerolactone (CHEBI:48569)
IUPAC Name
5-methyldihydrofuran-2(3H)-one
Synonyms Sources
4-Hydroxypentanoic acid lactone ChemIDplus
4-Hydroxyvaleric acid lactone ChemIDplus
4-Methyl-4-hydroxybutanoic acid lactone ChemIDplus
4-Methyl-γ-butyrolactone NIST Chemistry WebBook
4-Pentanolide ChemIDplus
4-Valerolactone ChemIDplus
dihydro-5-methyl-2(3H)-furanone NIST Chemistry WebBook
gamma-Pentalactone ChemIDplus
γ-Pentanolactone NIST Chemistry WebBook
Database Links Databases
CN101633649 Patent
Gamma-Valerolactone Wikipedia
HMDB0033840 HMDB
View more database links
Registry Numbers Types Sources
108-29-2 CAS Registry Number NIST Chemistry WebBook
108-29-2 CAS Registry Number ChemIDplus
80420 Beilstein Registry Number Beilstein
80420 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23486087 PubMed citation Europe PMC
7470400 PubMed citation Europe PMC
Last Modified
23 June 2017