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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:56 UTC
Update Date2025-03-25 00:58:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233138
Frequency0.5
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCCC(C)C(C)N=O
InChI KeyGPWIIZSIPSWSBG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organic nitroso compounds
Direct Parent c-nitroso compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound