Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:57:43 UTC
Update Date2025-03-24 22:26:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01197048
Frequency1.1
Structure
Chemical FormulaC4H9NOS
Molecular Mass119.0405
SMILESCNC(C)C(O)=S
InChI KeyIWZUMAVWVOFJJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarbodithioic acids
Subclass carbodithioic acids
Direct Parent carbodithioic acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic o-acids
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • thiocarbonyl compounds
  • thiocarboxylic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • thiocarboxylic acid or derivatives
  • secondary aliphatic amine
  • carbonyl group
  • thiocarbonyl group
  • carbodithioic acid
  • secondary amine
  • organosulfur compound
  • organic oxygen compound
  • carbothioic o-acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine