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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:50:18 UTC
Update Date2025-03-24 14:04:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00747348
Frequency2.0
Structure
Chemical FormulaC4H10N2O3
Molecular Mass134.0691
SMILESC[N+](C)(C)C([O-])[N+](=O)[O-]
InChI KeyMJRMQBKTZINYBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkoxides
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • orthocarboxylic acid derivatives
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic oxoazanium
  • orthocarboxylic acid derivative
  • organic salt
  • alkoxide
  • organooxygen compound
  • organic hyponitrite