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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:20 UTC
Update Date2025-03-25 00:49:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177000
Frequency0.5
Structure
Chemical FormulaC8H15N3O2S2
Molecular Mass249.0606
SMILESC=CCSSCCNC(=C[N+](=O)[O-])NC
InChI KeyVQJVSFLMRCVQQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent c-nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • dialkylamines
  • dialkyldisulfides
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • sulfenyl compound
  • allyl sulfur compound
  • secondary amine
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • dialkyldisulfide
  • organic oxide
  • organic oxygen compound
  • organic disulfide
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • amine
  • organic hyponitrite