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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:55 UTC
Update Date2025-03-25 00:52:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194167
Frequency0.5
Structure
Chemical FormulaC5H11NO2
Molecular Mass117.079
SMILESCN=CC(O)C(C)O
InChI KeyWJBCGZPARDUAKN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldimines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • 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
  • 1,2-diol