Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:16:12 UTC
Update Date2025-03-24 14:15:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00809110
Frequency1.8
Structure
Chemical FormulaC4H6O2S
Molecular Mass118.0088
SMILESCSC(=O)CC=O
InChI KeyLBMLQXZFSLFSBF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-hydrogen aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbothioic s-esters
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioesters
  • thiolactones
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • sulfenyl compound
  • thiocarboxylic acid ester
  • organosulfur compound
  • carboxylic acid derivative
  • carbothioic s-ester
  • organic oxide
  • alpha-hydrogen aldehyde
  • hydrocarbon derivative
  • thiolactone