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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:04:54 UTC
Update Date2025-03-24 19:53:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01068805
Frequency1.3
Structure
Chemical FormulaC3H5NO5
Molecular Mass135.0168
SMILESO=C(O)OCC[N+](=O)[O-]
InChI KeyPCOLBZCTAYCEQA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass carbonic acid monoesters
Direct Parent carbonic acid monoesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • carbonic acid monoester
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organooxygen compound
  • organic hyponitrite