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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:35:22 UTC
Update Date2025-03-25 00:20:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01288606
Frequency1.0
Structure
Chemical FormulaC4H10NO3+
Molecular Mass120.0655
SMILESCC(C)CO[N+](=O)O
InChI KeyYYDRGDONUKMBIH-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
  • hydrocarbon derivatives
  • organic cations
  • organic nitric acids and derivatives
  • organic nitro compounds
  • organic nitrogen compounds
  • organic oxides
  • organooxygen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic nitric acid or derivatives
  • alkyl nitrate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organooxygen compound
  • organic nitro compound