Metabolomics Structure Database

 
MW REGNO: 55056
Common Name:Sulmazole
Systematic Name:2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine
RefMet Name:Sulmazole
Synonyms:2-[2-methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-b]pyridine; Sulmazole [PubChem Synonyms]
Exact Mass:
287.0728 (neutral)    Calculate m/z:
Formula:C14H13N3O2S
InChIKey:XMFCOYRWYYXZMY-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Azoles [C0000436]
ClassyFire subclass:Imidazoles [C0000078]
ClassyFire direct parent:Phenylimidazoles [C0002327]
SMILES:COc1cc(ccc1c1[nH]c2cccnc2n1)S(=O)C
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:5353
CHEBI ID:34988
HMDB ID:HMDB0258615
KEGG ID:C13749
EPA CompTox DB:DTXCID9020617
Plant Metabolite Hub(Pmhub):MS000023345

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