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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:30:28 UTC
Update Date2025-03-25 01:04:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02271038
Frequency0.5
Structure
Chemical FormulaC5H12NO2+
Molecular Mass118.0863
SMILESCO[N+](=O)C(C)(C)C
InChI KeyMKCKQTPAPNTXAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent organic nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl nitrites
  • hydrocarbon derivatives
  • n-organohydroxylamines
  • organic cations
  • organic oxides
  • organic oxoazanium compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • n-organohydroxylamine
  • organic nitro compound
  • alkyl nitrite
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organooxygen compound