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CHEBI:64262 - 17-hydroxylupanine(1+)

ChEBI IDCHEBI:64262
ChEBI Name17-hydroxylupanine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of 17-hydroxylupanine, arising from protonation of the hemiaminal nitrogen; major species at pH 7.3.
Last Modified2 April 2013
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H25N2O2
Net Charge+1
Average Mass265.377
Monoisotopic Mass265.19105
SMILES[H][C@@]12CN3C(=O)CCC[C@]3([H])[C@@]([H])(C1)C(O)[NH+]1CCCC[C@]12[H]
InChIInChI=1S/C15H24N2O2/c18-14-6-3-5-13-11-8-10(9-17(13)14)12-4-1-2-7-16(12)15(11)19/h10-13,15,19H,1-9H2/p+1/t10-,11+,12-,13+,15?/m0/s1
InChIKeyLCORZQTZVFOPGT-IZADBBIGSA-O
ChEBI Ontology
Outgoing Relation(s)
17-hydroxylupanine(1+) (CHEBI:64262) is a ammonium ion derivative (CHEBI:35274)
17-hydroxylupanine(1+) (CHEBI:64262) is a organic cation (CHEBI:25697)
17-hydroxylupanine(1+) (CHEBI:64262) is conjugate acid of 17-hydroxylupanine (CHEBI:64287)
Incoming Relation(s)
17-hydroxylupanine (CHEBI:64287) is conjugate base of 17-hydroxylupanine(1+) (CHEBI:64262)
IUPAC Name 
17-hydroxy-2-oxospartein-16-ium
Synonym  Source
17-hydroxylupaniniumChEBI
UniProt Name  Source
17-hydroxylupanineUniProt
Manual XrefsDatabases
CPD-13928MetaCyc