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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:51:10 UTC
Update Date2025-03-24 20:55:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01612106
Frequency0.8
Structure
Chemical FormulaC3H6N2O3
Molecular Mass118.0378
SMILESCNC(=O)C[N+](=O)[O-]
InChI KeyRXGDLJRIJKYANC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • c-nitro compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alpha-amino acid amide
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • carboxamide group
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite