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CHEBI:48882 - (R)-atropine

ChEBI IDCHEBI:48882
ChEBI Name(R)-atropine
Stars
ASCII Name(R)-atropine
DefinitionAn atropine with a 2R-configuration.
Last Modified9 June 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H23NO3
Net Charge0
Average Mass289.375
Monoisotopic Mass289.16779
SMILESCN1[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/t13-,14+,15+,16-/m0/s1
InChIKeyRKUNBYITZUJHSG-JJXSEGSLSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(R)-atropine (CHEBI:48882) has functional parent (R)-tropic acid (CHEBI:30767)
(R)-atropine (CHEBI:48882) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734)
Incoming Relation(s)
atropine (CHEBI:16684) has part (R)-atropine (CHEBI:48882)
IUPAC Names 
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate
tropan-3α-yl (2R)-3-hydroxy-2-phenylpropanoate
Synonyms  Source
(+)-hyoscyamineChemIDplus
(+)-atropineChemIDplus
Registry NumbersSources
Beilstein:91258Beilstein
CAS:13269-35-7ChemIDplus