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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:21 UTC
Update Date2025-03-25 01:01:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252479
Frequency0.5
Structure
Chemical FormulaC4H12N2O5S2
Molecular Mass232.0188
SMILESNCCS(=O)(=O)NCCS(=O)(=O)O
InChI KeySBTWOYBXVSRSIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass beta-sulfonopeptides
Direct Parent beta-sulfonopeptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organic sulfonamides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfonamides
  • organosulfonic acids
    • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • beta-sulfonopeptide fragment
  • aminosulfonyl compound
  • organosulfonic acid
  • organosulfur compound
  • beta-peptidosulfonamide fragment
  • organosulfonic acid amide
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic sulfonic acid amide