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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:11:37 UTC
Update Date2025-03-25 00:36:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02089690
Frequency0.6
Structure
Chemical FormulaC7H13NO2
Molecular Mass143.0946
SMILESCCC(O)CCC=CN=O
InChI KeyQPYNXTXNQWAXLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitroso compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic nitroso compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • c-nitroso compound
  • hydrocarbon derivative
  • organic nitrogen compound