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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:26:08 UTC
Update Date2025-03-24 16:50:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00977165
Frequency1.5
Structure
Chemical FormulaC5H11NO3
Molecular Mass133.0739
SMILESCC(C)CCOON=O
InChI KeyPPGAOKSHKPIISV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic peroxynitrites
Direct Parent organic peroxynitrites
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic o-nitroso compounds
  • organic nitrites
  • organic nitrogen compounds
  • organic oxides
  • organooxygen compounds
    • Substituents
  • organic peroxynitrite
  • aliphatic acyclic compound
  • organic oxide
  • organic nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic nitrite
  • organooxygen compound
  • organic o-nitroso compound