Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	65877
Common Name:	GSK1059615
Systematic Name:	(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
Synonyms:	5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene}-1,3-thiazolidine-2,4-dione [PubChem Synonyms]
Exact Mass:	333.0572 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C18H11N3O2S
InChIKey:	QDITZBLZQQZVEE-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyridines and derivatives [C0000089]
ClassyFire subclass:	Bipyridines and oligopyridines [C0000326]
ClassyFire direct parent:	Bipyridines and oligopyridines [C0000326]
SMILES:	c1cc2c(cc1C=C1C(=O)NC(=O)S1)c(ccn2)c1ccncc1
Studies:	-

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PubChem CID:	23582824
CHEBI ID:	71955

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