Metabolomics Structure Database

 
MW REGNO: 152489
Common Name:Homatropine
Systematic Name:(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate
RefMet Name:Homatropine
Synonyms:Homatropina [PubChem Synonyms]
Exact Mass:
275.1521 (neutral)    Calculate m/z:
Formula:C16H21NO3
InChIKey:ZTVIKZXZYLEVOL-MCOXGKPRSA-N
ClassyFire superclass:Alkaloids and derivatives [C0000279]
ClassyFire class:Tropane alkaloids [C0000492]
ClassyFire subclass:Tropane alkaloids [C0000492]
SMILES:CN1[C@@H]2C[C@H](C[C@H]1CC2)OC(=O)C(O)c1ccccc1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5282593
CHEBI ID:5747
HMDB ID:HMDB0253199
Drugbank ID:DB11181
CHEMBL ID:CHEMBL1618018
Plant Metabolite Hub(Pmhub):MS000014046

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

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