RefMet Compound Details

MW structure37162 (View MW Metabolite Database details)
RefMet nameTaurine
Systematic name2-aminoethane-1-sulfonic acid
SMILESNCCS(=O)(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass125.014666 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) 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
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

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)
R12959 Hypotaurine + NADPH + H+ + Oxygen <=> Taurine + NADP+ + H2Odimethylaniline monooxygenase (N-oxide forming) / hypotaurine monooxygenase [EC:1.14.13.8 1.8.1.-]
R01687 (5-L-Glutamyl)-peptide + Taurine <=> Peptide + 5-L-Glutamyl-taurine(5-L-glutamyl)-peptide:taurine 5-glutamyltransferase

Table of KEGG human pathways containing Taurine

Pathway IDHuman Pathway# of reactions
hsa00430 Taurine and hypotaurine metabolism 4
hsa00120 Primary bile acid biosynthesis 2
hsa01100 Metabolic pathways 1
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