Metabolomics Structure Database

 
MW REGNO: 63294
Common Name:Erythromycin C
Systematic Name:(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
RefMet Name:Erythromycin C
Synonyms:3''-O-Demethylerythromycin [PubChem Synonyms]
Exact Mass:
719.4456 (neutral)    Calculate m/z:
Formula:C36H65NO13
InChIKey:MWFRKHPRXPSWNT-QNPWSHAKSA-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:CC[C@@H]1[C@](C)([C@@H]([C@@H](C)C(=O)[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O1)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)O)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:83933
CHEBI ID:64273
HMDB ID:HMDB0251935
Natural Products Atlas ID:NP009987
Plant Metabolite Hub(Pmhub):MS000019254

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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