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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:03:19 UTC
Update Date2025-03-24 21:00:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01641727
Frequency0.8
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESC[N+]([O-])=CCC(=O)O
InChI KeyRGPYTMCZVKADEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass nitrones
Direct Parent nitrones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • organic hyponitrite
  • nitrone