Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:45 UTC
Update Date2025-03-25 00:59:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235044
Frequency0.5
Structure
Chemical FormulaC11H17NS
Molecular Mass195.1082
SMILESCNC1CCC(c2cccs2)CC1
InChI KeyPVZKNXFFWBPDGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • thiophenes
  • Substituents
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • thiophene
  • secondary amine
  • amine