Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:53 UTC
Update Date2025-03-21 18:35:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107626
Frequency25.0
Structure
Chemical FormulaC10H14O5S
Molecular Mass246.0562
SMILESCC(=O)SC1CC(O)C=CC1(O)CC(=O)O
InChI KeyRWEIYSMAVIXJDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent thia fatty acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic s-esters
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • sulfenyl compounds
  • tertiary alcohols
  • thioesters
  • thiolactones
  • Substituents
  • alcohol
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • thiocarboxylic acid ester
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • hydroxy fatty acid
  • thiolactone
  • organooxygen compound