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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:22:57 UTC
Update Date2025-03-24 14:18:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00825869
Frequency1.8
Structure
Chemical FormulaC4H9NO
Molecular Mass87.0684
SMILESCN=CC(C)O
InChI KeyUPVHHLKILZDTLY-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
  • aldimines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound