Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:51 UTC
Update Date2025-03-25 00:48:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166738
Frequency0.5
Structure
Chemical FormulaC6H15NO3S
Molecular Mass181.0773
SMILESCC(=O)NCCC[SH](C)(=O)O
InChI KeyGGUYNJIZIVIUNB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent acetamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • organosulfur compounds
  • secondary carboxylic acid amides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organosulfur compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • acetamide
  • organooxygen compound