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Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-27 23:29:52 UTC
Update Date2024-09-29 09:31:21 UTC
Metabolite IDMMDBc0000086
Metabolite Identification
Common NameTaurine
Description
Structure
Synonyms
Molecular FormulaC2H7NO3S
Average Mass125.147
Monoisotopic Mass125.014663785
IUPAC Name2-aminoethane-1-sulfonic acid
Traditional Nametaurine
CAS Registry Number107-35-7
SMILES
NCCS(O)(=O)=O
InChI Identifier
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChI KeyXOAAWQZATWQOTB-UHFFFAOYSA-N