Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:51:01 UTC
Update Date2025-03-25 01:12:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02318313
Frequency0.5
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESNC1SC(O)CC1O
InChI KeyPDUYILSLQVKSNZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • thiohemiaminal derivatives
  • Substituents
  • thiolane
  • alcohol
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound