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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:45 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205245
Frequency0.5
Structure
Chemical FormulaC4H10N2O3
Molecular Mass134.0691
SMILESNCC(O)CCON=O
InChI KeyDIIHXSHVEWUILJ-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
  • alkyl nitrites
  • hydrocarbon derivatives
  • monoalkylamines
  • nitrite esters
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic nitrite
  • alkyl nitrite
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • nitrite ester
  • primary aliphatic amine
  • organooxygen compound
  • organic o-nitroso compound