Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:05 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153714
Frequency0.5
Structure
Chemical FormulaC6H13NO4S3
Molecular Mass259.0007
SMILESCS(=O)C(=S)NCCCCS(=O)(=O)O
InChI KeyQONZBLDKJFRIME-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
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • sulfonyls
  • sulfoxides
  • Substituents
  • aliphatic acyclic compound
  • organosulfonic acid
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound