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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:10 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171977
Frequency0.5
Structure
Chemical FormulaC5H9N3O2S
Molecular Mass175.0415
SMILESCNC(=C[N+](=O)[O-])NC(C)=S
InChI KeyCPTVUDKAOAAWRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioamides
Subclass thioamides
Direct Parent thioamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • carbonyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • thiocarbonyl compounds
  • thiocarboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • thiocarboxylic acid amide
  • allyl-type 1,3-dipolar organic compound
  • thiocarbonyl group
  • organic 1,3-dipolar compound
  • secondary amine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • thioamide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • amine
  • organic hyponitrite