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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:03:49 UTC
Update Date2025-03-24 19:52:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01066321
Frequency1.3
Structure
Chemical FormulaC6H11NO
Molecular Mass113.0841
SMILESCNC=C(C)C(C)=O
InChI KeySISDVTKLAALOJE-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
  • dialkylamines
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • vinylogous amide
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • amine
  • enone