Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:37 UTC
Update Date2025-03-21 18:40:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128543
Frequency19.8
Structure
Chemical FormulaC3H9NO3S2
Molecular Mass171.0024
SMILESNCCSCS(=O)(=O)O
InChI KeyZWHHVPABPKJMBX-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
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • sulfonyls
  • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound