CHEBI:58164 - (S)-atropinium

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ChEBI Name (S)-atropinium
ChEBI ID CHEBI:58164
ChEBI ASCII Name (S)-atropinium
Definition An organic cation that is the conjugate acid of (S)-atropine arising from protonation of the tertiary amino group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H24NO3
Net Charge +1
Average Mass 290.37740
Monoisotopic Mass 290.17507
InChI InChI=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
InChIKey RKUNBYITZUJHSG-FXUDXRNXSA-O
SMILES C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](CO)c1ccccc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-atropinium (CHEBI:58164) has role plant metabolite (CHEBI:76924)
(S)-atropinium (CHEBI:58164) is a ammonium ion (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 (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 Sources
(S)-atropinium cation ChEBI
(S)-atropinium(1+) ChEBI
L-hyoscyamine UniProt
Last Modified
06 July 2015