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Record Information
HMDB Statusquantified
Creation Date2024-02-20 23:35:57 UTC
Update Date2025-03-21 17:57:09 UTC
HMDB IDHMDB0240253
Metabolite Identification
DeepMet IDDMID00006014
NameN-Acetyltaurine
Frequency1051.5
Structure
Chemical FormulaC4H9NO4S
Molecular Mass167.0252
SMILESCC(=O)NCCS(=O)(=O)O
InChI KeyCXJAAWRLVGAKDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfonic acids and derivatives
Subclass organosulfonic acids and derivatives
Direct Parent organosulfonic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organosulfonic acid
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound