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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:07:12 UTC
Update Date2025-03-21 22:09:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00502419
Frequency3.4
Structure
Chemical FormulaC2H7N2O3+
Molecular Mass107.0451
SMILESNCCO[N+](=O)O
InChI KeyLXZJBFZYAORWNE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic nitrates
Direct Parent alkyl nitrates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic nitric acids and derivatives
  • organic nitro compounds
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic nitric acid or derivatives
  • organic nitro compound
  • organic oxide
  • alkyl nitrate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organooxygen compound