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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:53:19 UTC
Update Date2025-03-25 00:29:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02046193
Frequency0.6
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESCN=CC(O)C(O)C=O
InChI KeyQBICUBBATZUZNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • aldimines
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • carbonyl group
  • imine
  • monosaccharide
  • aldehyde
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organic oxide
  • alpha-hydroxyaldehyde
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2-diol