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> Main
CHEBI:57858 - atropinium
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ChEBI Name
atropinium
ChEBI ID
CHEBI:57858
Definition
An ammonium ion that is the conjugate acid of 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?
InChIKey
RKUNBYITZUJHSG-SPUOUPEWSA-O
SMILES
C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(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
atropinium (
CHEBI:57858
)
has role
plant metabolite (
CHEBI:76924
)
atropinium (
CHEBI:57858
)
is a
ammonium ion derivative (
CHEBI:35274
)
atropinium (
CHEBI:57858
)
is conjugate acid of
tropan-3α-yl 3-hydroxy-2-phenylpropanoate (
CHEBI:78734
)
Incoming
tropan-3α-yl 3-hydroxy-2-phenylpropanoate (
CHEBI:78734
)
is conjugate base of
atropinium (
CHEBI:57858
)
IUPAC Name
(3-
endo
,8-
syn
)-
3-
[(3-
hydroxy-
2-
phenylpropanoyl)oxy]-
8-
methyl-
8-
azoniabicyclo[3.2.1]octane
Synonyms
Sources
atropine
UniProt
atropinium cation
ChEBI
atropinium(1+)
ChEBI
Last Modified
04 August 2015