Metabolomics Structure Database

 
MW REGNO: 62738
Common Name:Mycinamicin VI
Systematic Name:[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-beta-D-allopyranoside
RefMet Name:Mycinamicin VI
Synonyms: [PubChem Synonyms]
Exact Mass:
667.3932 (neutral)    Calculate m/z:
Formula:C35H57NO11
InChIKey:ORPUAOXOPLNKNG-GEUQSOIWSA-N
LIPID MAPS Category:Polyketides
LIPID MAPS mainclass:Macrolides
LIPID MAPS subclass:Macrolides
NP-MRD NMR spectra:View NMR spectra
SMILES:CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]([C@@H](C)/C=C/C(=O)O1)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)CO[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](C)O1)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo