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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:37:46 UTC
Update Date2025-03-24 17:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01004865
Frequency1.4
Structure
Chemical FormulaC3H8NO5+
Molecular Mass138.0397
SMILESO=[N+](O)OCC(O)CO
InChI KeyIVWLJGPHVIIKFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic nitrates
Direct Parent alkyl nitrates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • organic cations
  • organic nitric acids and derivatives
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic nitric acid or derivatives
  • organic nitro compound
  • organic oxide
  • alkyl nitrate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • primary alcohol
  • organooxygen compound
  • 1,2-diol