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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:06:56 UTC
Update Date2025-03-24 19:54:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01073525
Frequency1.3
Structure
Chemical FormulaC4H9NO4
Molecular Mass135.0532
SMILESO=NCC(O)C(O)CO
InChI KeyCIRQIRVGERUJCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitroso compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic nitroso compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol