Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:51 UTC
Update Date2025-03-21 18:34:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102627
Frequency26.5
Structure
Chemical FormulaC4H8O3S
Molecular Mass136.0194
SMILESCC(S)C(O)C(=O)O
InChI KeyXPLJMGJUUKVIRI-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 acyclic compounds
Alternative Parents
  • alkylthiols
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organosulfur compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • monosaccharide
  • hydroxy acid
  • organosulfur compound
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • hydroxy fatty acid
  • alkylthiol
  • organooxygen compound