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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:08:02 UTC
Update Date2025-03-24 20:11:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01366515
Frequency1.0
Structure
Chemical FormulaC3H9N2O2+
Molecular Mass105.0659
SMILESC[N+](=O)OCCN
InChI KeyTXNKHDSIMOKSAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent organic nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl nitrites
  • hydrocarbon derivatives
  • monoalkylamines
  • n-organohydroxylamines
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • n-organohydroxylamine
  • organic nitro compound
  • alkyl nitrite
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound