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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:31 UTC
Update Date2025-03-25 01:00:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241271
Frequency0.5
Structure
Chemical FormulaC5H11N3O3
Molecular Mass161.08
SMILESCC(=O)NCCCN[N+](=O)[O-]
InChI KeyRWJNJCVAAMGLLK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent nitramines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • nitramine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • organic hyponitrite