Metabolomics Structure Database

 
MW REGNO: 42990
Common Name:Tamoxifen
Systematic Name:(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
Synonyms: [PubChem Synonyms]
Exact Mass:
371.2249 (neutral)    Calculate m/z:
Formula:C26H29NO
InChIKey:NKANXQFJJICGDU-QPLCGJKRSA-N
ClassyFire superclass:Phenylpropanoids and polyketides [C0000261]
ClassyFire class:Stilbenes [C0000253]
ClassyFire subclass:Stilbenes [C0000253]
ClassyFire direct parent:Aromatic homomonocyclic compounds
Massbank MS spectra:View MS spectra
SMILES:CC/C(=C(c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1
Studies:-

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Human Pathway links:

REACTOME pathways containing this metabolite

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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