Metabolomics Structure Database

 
MW REGNO: 62790
Common Name:Midostaurin
Systematic Name:N-[(5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-yl]-N-methylbenzamide
Synonyms:4'-N-benzoylstaurosporine; CGP 41251; CGP-41251; PKC 412; PKC412; benzoylstaurosporine [PubChem Synonyms]
Exact Mass:
570.2267 (neutral)    Calculate m/z:
Formula:C35H30N4O4
InChIKey:BMGQWWVMWDBQGC-IIFHNQTCSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Indoles and derivatives [C0000211]
ClassyFire subclass:Carbazoles [C0000210]
ClassyFire direct parent:Indolocarbazoles [C0001866]
SMILES:C[C@]12[C@@H]([C@@H](C[C@H](n3c4ccccc4c4c5c(CNC5=O)c5c6ccccc6n1c5c34)O2)N(C)C(=O)c1ccccc1)OC
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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