CHEBI:28286 - cyclohexane-1,4-dione

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ChEBI Name cyclohexane-1,4-dione
ChEBI ID CHEBI:28286
Definition A cyclohexanedione with oxo substituents at positions 1 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:535, CHEBI:18929
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Formula C6H8O2
Net Charge 0
Average Mass 112.12652
Monoisotopic Mass 112.052
InChI InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey DCZFGQYXRKMVFG-UHFFFAOYSA-N
SMILES O=C1CCC(=O)CC1
ChEBI Ontology
Outgoing cyclohexane-1,4-dione (CHEBI:28286) is a cyclohexanedione (CHEBI:23478)
Incoming levodione (CHEBI:86400) has functional parent cyclohexane-1,4-dione (CHEBI:28286)
IUPAC Name
cyclohexane-1,4-dione
Synonyms Sources
1,4-Cyclohexanedione KEGG COMPOUND
1,4-dioxocyclohexane NIST Chemistry WebBook
tetrahydroquinone NIST Chemistry WebBook
Manual Xrefs Databases
1,4-Cyclohexanedione Wikipedia
c0554 UM-BBD
C08063 KEGG COMPOUND
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Registry Numbers Types Sources
101292 Gmelin Registry Number Gmelin
637-88-7 CAS Registry Number KEGG COMPOUND
637-88-7 CAS Registry Number ChemIDplus
637-88-7 CAS Registry Number NIST Chemistry WebBook
774152 Beilstein Registry Number Beilstein
774152 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16504460 PubMed citation Europe PMC
Last Modified
16 July 2015