Metabolomics Structure Database

 
MW REGNO: 144180
Common Name:Telithromycin
Systematic Name:(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-15-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
RefMet Name:Telithromycin
Synonyms: [PubChem Synonyms]
Exact Mass:
811.4731 (neutral)    Calculate m/z:
Formula:C43H65N5O10
InChIKey:LJVAJPDWBABPEJ-PNUFFHFMSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:Aminoglycosides [C0000282]
SMILES:CN(C)[C@@H]1C[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)[C@H](C)C(=O)O[C@@H](CC)[C@]3(C)OC(=O)N(CCCC[n]4cc([n]c4)-c4c[n]ccc4)[C@H]3[C@H](C)C(=O)[C@@H](C)C[C@]2(C)OC)[C@H]1O
Studies:Available studies (via RefMet name)

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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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