Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:12:58 UTC
Update Date2025-03-24 22:38:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01235110
Frequency1.1
Structure
Chemical FormulaC5H7N3S
Molecular Mass141.0361
SMILESc1nc2c([nH]1)SCCN2
InChI KeyRHHJCGAFHUYDAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioethers
Subclass aryl thioethers
Direct Parent aryl thioethers
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-thiazines
  • alkylarylthioethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • para-thiazine
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • alkylarylthioether
  • aryl thioether
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organoheterocyclic compound
  • amine
  • azole