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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:05 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105623
Frequency25.6
Structure
Chemical FormulaC12H13NO9S
Molecular Mass347.0311
SMILESO=C(O)CCC(NC(=O)c1ccc(OS(=O)(=O)O)cc1)C(=O)O
InChI KeyMUYAOOUBLNBIPD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • benzoyl derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hippuric acids and derivatives
  • hydrocarbon derivatives
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
  • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzamide
  • phenylsulfate
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • arylsulfate
  • n-acyl-alpha amino acid or derivatives
  • organic sulfuric acid or derivatives
  • n-acyl-alpha-amino acid
  • hippuric acid or derivatives
  • benzoic acid or derivatives
  • glutamic acid or derivatives
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound