Metabolomics Structure Database
|
MW REGNO: | 62737 |
Common Name: | Mycinamicin IV |
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-2,3-di-O-methyl-beta-D-allopyranoside |
RefMet Name: | Mycinamicin IV |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C37H61NO11 |
InChIKey: | DBTIHDIIXPQOFR-JMHKOBKLSA-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)OC)OC |
Studies: | Available studies (via RefMet name) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 6447311 |
CHEBI ID: | 63284 |
NP-MRD ID(NMR): | NP0022165 |
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