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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:33:00 UTC
Update Date2025-03-24 21:13:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01713218
Frequency0.7
Structure
Chemical FormulaC4H7NO4
Molecular Mass133.0375
SMILESCC(=O)OCCON=O
InChI KeyZYPUNWRPSGELFX-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
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • nitrite esters
  • organic nitrogen compounds
  • organic oxides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid derivative
  • organic nitrite
  • alkyl nitrite
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • nitrite ester
  • organooxygen compound
  • organic o-nitroso compound