Hmdb loader

Showing information for DMID02179284

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:20 UTC
Update Date2025-03-25 00:50:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179284
Frequency0.5
Structure
Chemical FormulaC7H12O4S
Molecular Mass192.0456
SMILESCSCCC(O)C(O)=CC(=O)O
InChI KeyCDFMWACDUAOHFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfenyl compounds
  • unsaturated fatty acids
  • vinylogous acids
    • Substituents
  • alcohol
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • fatty acid
  • organosulfur compound
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • unsaturated fatty acid
  • vinylogous acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • medium-chain fatty acid
  • hydroxy fatty acid
  • organooxygen compound