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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:24 UTC
Update Date2025-03-25 00:52:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190782
Frequency0.5
Structure
Chemical FormulaC4H5IO
Molecular Mass195.9385
SMILESC=C(I)C(C)=O
InChI KeyHOJCYEUWKFDQLB-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-haloketones
  • enones
  • hydrocarbon derivatives
  • iodoalkenes
  • organic oxides
  • organoiodides
  • vinyl iodides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • vinyl iodide
  • organohalogen compound
  • organoiodide
  • ketone
  • organic oxide
  • iodoalkene
  • vinyl halide
  • haloalkene
  • alpha-haloketone
  • hydrocarbon derivative
  • acryloyl-group
  • enone