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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:09 UTC
Update Date2025-03-25 00:47:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162796
Frequency0.5
Structure
Chemical FormulaC12H16N2O9S
Molecular Mass364.0577
SMILESO=C(NC1C(O)OC(COS(=O)(=O)O)C(O)C1O)c1ccccn1
InChI KeyUPQARSIOTDEMGV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 2-halopyridines
  • 2-heteroaryl carboxamides
  • alkyl sulfates
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hemiacetals
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyridinecarboxylic acids and derivatives
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • pyridine carboxylic acid or derivatives
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • monosaccharide
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • 2-halopyridine
  • oxane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • pyridine
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester