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CHEBI:58164 - (S)-atropinium

ChEBI IDCHEBI:58164
ChEBI Name(S)-atropinium
Stars
ASCII Name(S)-atropinium
DefinitionAn organic cation that is the conjugate acid of (S)-atropine arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified6 July 2015
DownloadsMolfile
FormulaC17H24NO3
Net Charge+1
Average Mass290.383
Monoisotopic Mass290.17507
SMILESC[NH+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2
InChIInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/p+1/t13-,14+,15+,16-/m1/s1
InChIKeyRKUNBYITZUJHSG-FXUDXRNXSA-O
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(S)-atropinium (CHEBI:58164) has role plant metabolite (CHEBI:76924)
(S)-atropinium (CHEBI:58164) is a ammonium ion derivative (CHEBI:35274)
(S)-atropinium (CHEBI:58164) is a organic cation (CHEBI:25697)
(S)-atropinium (CHEBI:58164) is conjugate acid of (S)-atropine (CHEBI:17486)
Incoming Relation(s)
(S)-atropine (CHEBI:17486) is conjugate base of (S)-atropinium (CHEBI:58164)
IUPAC Name 
(3-endo)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Synonyms  Source
(S)-atropinium cationChEBI
(S)-atropinium(1+)ChEBI
UniProt Name  Source
L-hyoscyamineUniProt