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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:04 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164904
Frequency0.5
Structure
Chemical FormulaC6H12NO3+
Molecular Mass146.0812
SMILESCC(O)CCC=C[N+](=O)O
InChI KeyOEJVKPGJLHQPBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent c-nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite