Metabolomics Structure Database

 
MW REGNO: 37162
Common Name:Taurine
Systematic Name:2-aminoethane-1-sulfonic acid
RefMet Name:Taurine
Synonyms: [PubChem Synonyms]
Exact Mass:
125.0147 (neutral)    Calculate m/z:
Formula:C2H7NO3S
InChIKey:XOAAWQZATWQOTB-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic sulfonic acids and derivatives [C0004434]
ClassyFire subclass:Organosulfonic acids and derivatives [C0000270]
ClassyFire direct parent:Organosulfonic acids [C0001179]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:C(CS(=O)(=O)O)N
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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

  logo