Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:13 UTC
Update Date2025-03-21 17:59:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00022504
Frequency176.2
Structure
Chemical FormulaC10H18N2OS
Molecular Mass214.114
SMILESCN(C)Cc1ccc(CSCCN)o1
InChI KeyJFGCGQJHMUYGLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent aralkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • furans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • sulfenyl compounds
  • trialkylamines
  • Substituents
  • furan
  • sulfenyl compound
  • aromatic heteromonocyclic compound
  • dialkylthioether
  • heteroaromatic compound
  • tertiary aliphatic amine
  • organosulfur compound
  • aralkylamine
  • oxacycle
  • organic oxygen compound
  • thioether
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • tertiary amine
  • organoheterocyclic compound
  • organooxygen compound