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> Main
CHEBI:16545 - 5-valerolactone
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ChEBI Ontology
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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-2
H
-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
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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-[(1
E
)-3,4-dihydroxypent-1-en-1-yl]-6-oxooxan-3-yl (2
E
)-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-2
H
-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