Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43527
Common Name:	Glycodiazine
Systematic Name:	N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
RefMet Name:	Glycodiazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	309.0783 (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:	C13H15N3O4S
InChIKey:	QFWPJPIVLCBXFJ-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzenesulfonamides [C0000031]
ClassyFire direct parent:	Benzenesulfonamides [C0000031]
SMILES:	COCCOc1cnc(nc1)NS(=O)(=O)c1ccccc1
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	9565
CHEBI ID:	1178587
HMDB ID:	HMDB0015461
Chemspider ID:	9190
EPA CompTox DB:	DTXCID703108

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