Hmdb loader

Showing information for DMID00045545

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:54 UTC
Update Date2025-03-21 18:03:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045545
Frequency73.9
Structure
Chemical FormulaC3H7NO2S
Molecular Mass121.0197
SMILESNCCSC(=O)O
InChI KeyVAEISKNUEWNPCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • sulfenyl compound
  • thiocarbonic acid derivative
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound