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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:16 UTC
Update Date2025-03-21 18:37:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00118298
Frequency22.1
Structure
Chemical FormulaC11H16N4O2S
Molecular Mass268.0994
SMILESCNC(=C[N+](=O)[O-])NCCSCc1cccnc1
InChI KeyIXUNMJKDYDEYGJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass methylpyridines
Direct Parent methylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitro compounds
  • dialkylamines
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aromatic heteromonocyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organosulfur compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • organic oxoazanium
  • secondary aliphatic amine
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • methylpyridine
  • organic 1,3-dipolar compound
  • secondary amine
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organic hyponitrite