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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:33 UTC
Update Date2025-03-25 00:49:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175155
Frequency0.5
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESCCCCC=CC(=O)CNC(O)=C=O
InChI KeyLLDFYJGMHZDDPH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • dialkylamines
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • secondary amine
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • ynolate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • amine
  • alkanolamine
  • enone