Metabolomics Structure Database

 
MW REGNO: 42890
Common Name:Piroxicam
Systematic Name:4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-2H-1$l^{6},2-benzothiazine-3-carboxamide
RefMet Name:Piroxicam
Synonyms: [PubChem Synonyms]
Exact Mass:
331.0627 (neutral)    Calculate m/z:
Formula:C15H13N3O4S
InChIKey:QYSPLQLAKJAUJT-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Benzothiazines [C0000309]
ClassyFire subclass:Benzothiazines [C0000309]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
MoNA MS spectra:View MS spectra
SMILES:CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc1ccccn1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:54676228
CHEBI ID:8249
HMDB ID:HMDB0014694
KEGG ID:C01608
Chemspider ID:10442653
EPA CompTox DB:DTXCID60207437
Plant Metabolite Hub(Pmhub):MS000001772

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