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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:11:19 UTC
Update Date2025-03-25 00:36:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02089037
Frequency0.6
Structure
Chemical FormulaC4H7ClO2
Molecular Mass122.0135
SMILESCC(CO)C(=O)Cl
InChI KeyXDSZCLXMXYGXCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classacyl halides
Subclass acyl chlorides
Direct Parent acyl chlorides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • primary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • organochloride
  • organic oxide
  • organic oxygen compound
  • acyl chloride
  • hydrocarbon derivative
  • primary alcohol
  • organooxygen compound