Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:28:55 UTC
Update Date2025-03-25 00:42:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02130228
Frequency0.6
Structure
Chemical FormulaC6H11NOS
Molecular Mass145.0561
SMILESCSC(=O)N1CCCC1
InChI KeyVJBKBBDQFUUHET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • thiocarbamic acid derivatives
  • thiolactones
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • sulfenyl compound
  • azacycle
  • organosulfur compound
  • thiocarbamic acid derivative
  • organic oxide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiolactone
  • organooxygen compound