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Record Information
HMDB Statusdetected
Creation Date2024-02-21 01:10:16 UTC
Update Date2025-03-21 19:05:44 UTC
HMDB IDHMDB0253612
Metabolite Identification
DeepMet IDDMID00227926
NameIsobutyl nitrite
Frequency9.4
Structure
Chemical FormulaC4H9NO2
Molecular Mass103.0633
SMILESCC(C)CON=O
InChI KeyAPNSGVMLAYLYCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic nitroso compounds
Direct Parent organic o-nitroso compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl nitrites
  • hydrocarbon derivatives
  • nitrite esters
  • organic nitrogen compounds
  • organic oxides
  • organooxygen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • nitrite ester
  • organic nitrite
  • organooxygen compound
  • organic o-nitroso compound
  • alkyl nitrite