Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:13 UTC
Update Date2025-03-25 00:51:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190387
Frequency0.5
Structure
Chemical FormulaC8H13NOS
Molecular Mass171.0718
SMILESCC(=O)C1SCC2CCCN21
InChI KeyOUYRGWOTDWAAOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolothiazoles
Subclass pyrrolothiazoles
Direct Parent pyrrolothiazoles
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • thiazolidines
  • thiohemiaminal derivatives
  • Substituents
  • carbonyl group
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolothiazole
  • dialkylthioether
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • pyrrole
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • thiazolidine