Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:12:44 UTC
Update Date2025-03-24 20:39:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01520700
Frequency0.8
Structure
Chemical FormulaC4H8O2S
Molecular Mass120.0245
SMILESCS(C)=CC(=O)O
InChI KeyTXBDHWYNGALTCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acids
Direct Parent carboxylic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organosulfur compounds
  • thioaldehydes
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioaldehyde
  • carboxylic acid
  • organic oxygen compound
  • hydrocarbon derivative
  • organosulfur compound
  • organooxygen compound