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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:19:38 UTC
Update Date2025-03-24 20:42:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01537435
Frequency0.8
Structure
Chemical FormulaC4H7NO2
Molecular Mass101.0477
SMILESCC(=O)C(O)=CN
InChI KeyGXVRQGHTMZARGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-hydroxy ketones
  • enones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous amides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • vinylogous amide
  • aliphatic acyclic compound
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic nitrogen compound
  • enone