Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:18 UTC
Update Date2025-03-21 18:41:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134718
Frequency18.7
Structure
Chemical FormulaC10H15NO5S
Molecular Mass261.0671
SMILESNC(=O)CSC1CC(O)C=CC1(O)CC(=O)O
InChI KeyIERMUTGNBJYFOQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent hydroxy fatty acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • fatty acyls
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • secondary alcohols
  • sulfenyl compounds
  • tertiary alcohols
  • thia fatty acids
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • carboxylic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • carboxamide group
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound