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ChEBI
> Main
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.
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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 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
(
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 (2
S
)-3-hydroxy-2-phenylpropanoate
Synonyms
Sources
(
S
)-atropinium cation
ChEBI
(
S
)-atropinium(1+)
ChEBI
L
-hyoscyamine
UniProt
Last Modified
06 July 2015