Metabolomics Structure Database
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MW REGNO: | 57122 |
Common Name: | (R)-atropine |
Systematic Name: | (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate;tropan-3alpha-yl (2R)-3-hydroxy-2-phenylpropanoate |
RefMet Name: | (R)-Atropine |
Synonyms: | (+)-atropine; (+)-hyoscyamine [PubChem Synonyms] |
Exact Mass: | |
Formula: | C17H23NO3 |
InChIKey: | RKUNBYITZUJHSG-JJXSEGSLSA-N |
ClassyFire superclass: | Alkaloids and derivatives [C0000279] |
ClassyFire class: | Tropane alkaloids [C0000492] |
ClassyFire subclass: | Tropane alkaloids [C0000492] |
ClassyFire direct parent: | Aromatic heteropolycyclic compounds |
SMILES: | CN1[C@@H]2C[C@H](C[C@H]1CC2)OC(=O)[C@@H](CO)c1ccccc1 |
Studies: | Available studies (via RefMet name) |
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External database links:
PubChem CID: | 637577 |
CHEBI ID: | 48882 |
HMDB ID: | HMDB0014568 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y