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CHEBI:64261 - lupanine(1+)

ChEBI IDCHEBI:64261
ChEBI Namelupanine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of lupanine, arising from protonation of the tertiary amino function; major species at pH 7.3.
Last Modified23 March 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H25N2O
Net Charge+1
Average Mass249.378
Monoisotopic Mass249.19614
SMILES[H][C@]12C[NH+]3CCCC[C@@]3([H])[C@]([H])(CN3C(=O)CCC[C@@]31[H])C2
InChIInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1
InChIKeyJYIJIIVLEOETIQ-XDQVBPFNSA-O
ChEBI Ontology
Outgoing Relation(s)
lupanine(1+) (CHEBI:64261) is a ammonium ion derivative (CHEBI:35274)
lupanine(1+) (CHEBI:64261) is a organic cation (CHEBI:25697)
lupanine(1+) (CHEBI:64261) is conjugate acid of lupanine (CHEBI:28193)
Incoming Relation(s)
lupanine (CHEBI:28193) is conjugate base of lupanine(1+) (CHEBI:64261)
IUPAC Name 
2-oxospartein-16-ium
Synonym  Source
lupaniniumChEBI
UniProt Name  Source
lupanineUniProt
Manual XrefsDatabases
CPD-8917MetaCyc