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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:49:40 UTC
Update Date2025-03-21 18:51:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00180511
Frequency12.8
Structure
Chemical FormulaC4H5ClO
Molecular Mass104.0029
SMILESC=C(Cl)C(C)=O
InChI KeyAUITUKWCKGNHMQ-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-chloroketones
  • chloroalkenes
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • vinyl chlorides
    • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • chloroalkene
  • organochloride
  • organohalogen compound
  • alpha-chloroketone
  • ketone
  • organic oxide
  • vinyl halide
  • haloalkene
  • alpha-haloketone
  • hydrocarbon derivative
  • acryloyl-group
  • vinyl chloride
  • enone