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CHEBI:58446 - 13-hydroxylupaninium

ChEBI IDCHEBI:58446
ChEBI Name13-hydroxylupaninium
Stars
DefinitionConjugate acid of 13-hydroxylupanine.
Last Modified24 November 2014
DownloadsMolfile
FormulaC15H25N2O2
Net Charge+1
Average Mass265.377
Monoisotopic Mass265.19105
SMILES[H][C@]12CCCC(=O)N1C[C@H]1C[C@@H]2C[NH+]2CC[C@H](O)C[C@]12[H]
InChIInChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/p+1/t10-,11-,12+,13-,14-/m1/s1
InChIKeyJVYKIBAJVKEZSQ-RKQHYHRCSA-O
ChEBI Ontology
Outgoing Relation(s)
13-hydroxylupaninium (CHEBI:58446) is a ammonium ion derivative (CHEBI:35274)
13-hydroxylupaninium (CHEBI:58446) is conjugate acid of 13-hydroxylupanine (CHEBI:18328)
Incoming Relation(s)
13-hydroxylupanine (CHEBI:18328) is conjugate base of 13-hydroxylupaninium (CHEBI:58446)
IUPAC Name 
(6β,7α,9α,13α)-13-hydroxyspartein-16-ium-2-one
UniProt Name  Source
13-hydroxylupanineUniProt