RefMet Compound Details

MW structure37162 (View MW Metabolite Database details)
RefMet nameTaurine
Systematic name2-aminoethane-1-sulfonic acid
Canonical SMILESNCCS(O)(=O)=O
Exact mass125.0147View other entries in RefMet with this exact mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC2H7NO3SView other entries in RefMet with this formula
InChIInChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKeyXOAAWQZATWQOTB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassSulfonic acids
Sub classSulfonic acids
Pubchem CID1123

Table of KEGG reactions in human pathways involving Taurine

Rxn IDKEGG ReactionEnzyme
R03720 Choloyl-CoA + Taurine <=> CoA + TaurocholateCholoyl-CoA:glycine N-choloyltransferase
R01682 L-Cysteate <=> Taurine + CO23-Sulfo-L-alanine carboxy-lyase (taurine-forming)

Table of KEGG human pathways containing Taurine

Pathway IDHuman Pathway# of reactions
hsa00430 Taurine and hypotaurine metabolism 2
hsa00120 Primary bile acid biosynthesis 1
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