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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:28:09 UTC
Update Date2025-03-25 01:26:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02404249
Frequency0.5
Structure
Chemical FormulaC4H7N3O2
Molecular Mass129.0538
SMILESCN1CNC1=C[N+](=O)[O-]
InChI KeyZVQNVGKKRPIFCG-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 heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • diazetidines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • 1,3-diazetidine
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organoheterocyclic compound
  • amine
  • organic hyponitrite