Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:21:02 UTC
Update Date2025-03-21 19:12:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00253201
Frequency8.2
Structure
Chemical FormulaC4H7NOS
Molecular Mass117.0248
SMILESO=C1CCC(S)N1
InChI KeyPKMAEIDTXRRWLW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkylthiols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thiohemiaminal derivatives
  • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkylthiol
  • organooxygen compound