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CHEBI:17486 - (S)-atropine
| Formula | C17H23NO3 |
| Net Charge | 0 |
| Average Mass | 289.375 |
| Monoisotopic Mass | 289.16779 |
| SMILES | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2 |
| 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/t13-,14+,15+,16-/m1/s1 |
| InChIKey | RKUNBYITZUJHSG-FXUDXRNXSA-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) |
| (S)-atropine (CHEBI:17486) has functional parent (S)-tropic acid (CHEBI:30766) |
| (S)-atropine (CHEBI:17486) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) |
| (S)-atropine (CHEBI:17486) is conjugate base of (S)-atropinium (CHEBI:58164) |
| Incoming Relation(s) |
| atropine (CHEBI:16684) has part (S)-atropine (CHEBI:17486) |
| (S)-atropinium (CHEBI:58164) is conjugate acid of (S)-atropine (CHEBI:17486) |
| IUPAC Names |
|---|
| (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
| tropan-3α-yl (2S)-3-hydroxy-2-phenylpropanoate |
| Synonyms | Source |
|---|---|
| L-Hyoscyamine | KEGG COMPOUND |
| L-Tropine tropate | KEGG COMPOUND |
| Daturine | KEGG COMPOUND |
| Duboisine | KEGG COMPOUND |
| hyoscyamine | KEGG DRUG |
| [3(S)-endo]-α-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester | NIST Chemistry WebBook |