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. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C5H8O2 Net Charge 0 Average Mass 100.11582 Monoisotopic Mass 100.05243 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 Manual Xrefs 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 Types Sources 23486087 PubMed citation Europe PMC 7470400 PubMed citation Europe PMC Last Modified 23 June 2017