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CHEBI:1643 - 3-oxohexobarbital

ChEBI IDCHEBI:1643
ChEBI Name3-oxohexobarbital
Stars
DefinitionAn organic cation that is 1,2,4,6-tetraoxohexahydropyrimidin-1-ium substituted by a cyclohex-1-en-1-yl group at position 5 and methyl groups at positions 3 and 5.
Last Modified2 February 2015
DownloadsMolfile
FormulaC12H15N2O4
Net Charge+1
Average Mass251.262
Monoisotopic Mass251.10263
SMILESCN1C(=O)[N+](=O)C(=O)C(C)(C2=CCCCC2)C1=O
InChIInChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1
InChIKeyQRBUUDMCIOVDKY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-oxohexobarbital (CHEBI:1643) is a organic cation (CHEBI:25697)
IUPAC Name 
5-(cyclohex-1-en-1-yl)-3,5-dimethyl-1,2,4,6-tetraoxohexahydropyrimidin-1-ium
Manual XrefsDatabases
C02517KEGG COMPOUND