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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:00 UTC
Update Date2025-03-25 00:48:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169289
Frequency0.5
Structure
Chemical FormulaC6H14N2O3
Molecular Mass162.1004
SMILESCCN(CCO)CCON=O
InChI KeyGKTJNDGTTBJKJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic nitroso compounds
Direct Parent organic o-nitroso compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • alcohols and polyols
  • alkyl nitrites
  • hydrocarbon derivatives
  • nitrite esters
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • organic nitrite
  • alkyl nitrite
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • nitrite ester
  • amine
  • tertiary amine
  • organooxygen compound
  • organic o-nitroso compound
  • alkanolamine