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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:03:35 UTC
Update Date2025-03-24 21:27:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01785698
Frequency0.7
Structure
Chemical FormulaC4H11N2O3+
Molecular Mass135.0764
SMILESCN(C)CCO[N+](=O)O
InChI KeyIJMGCBQYJCEUHC-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
  • organic cations
  • organic nitric acids and derivatives
  • organic nitro compounds
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aliphatic acyclic compound
  • organic nitric acid or derivatives
  • tertiary aliphatic amine
  • organic nitro compound
  • organic oxide
  • alkyl nitrate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • amine
  • tertiary amine
  • organooxygen compound