CHEBI:16545 - 5-valerolactone

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ChEBI Name 5-valerolactone ChEBI ID CHEBI:16545 Definition The simplest member of the class of δ-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:2127, CHEBI:12166, CHEBI:20632 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/c6-5-3-1-2-4-7-5/h1-4H2 InChIKey OZJPLYNZGCXSJM-UHFFFAOYSA-N SMILES O=C1CCCCO1 ChEBI Ontology Outgoing 5-valerolactone (CHEBI:16545) has parent hydride oxane (CHEBI:46941) 5-valerolactone (CHEBI:16545) is a δ-lactone (CHEBI:18946) Incoming 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 Sources 5-Valerolactone KEGG COMPOUND 5-valerolactone UniProt delta-Valerolactone KEGG COMPOUND Manual Xrefs Databases 5-VALEROLACTONE MetaCyc C02240 KEGG COMPOUND Delta-Valerolactone Wikipedia US2011237806 Patent View more database links Registry Numbers Types Sources 106436 Reaxys Registry Number Reaxys 542-28-9 CAS Registry Number KEGG COMPOUND 542-28-9 CAS Registry Number NIST Chemistry WebBook 542-28-9 CAS Registry Number ChemIDplus Citations Types Sources 16134088 PubMed citation Europe PMC 18324833 PubMed citation Europe PMC Last Modified 04 August 2015