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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:49:46 UTC
Update Date2025-03-24 14:36:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00889927
Frequency1.6
Structure
Chemical FormulaC4H8ClNO
Molecular Mass121.0294
SMILESCN(C)C(=O)CCl
InChI KeyXBPPLECAZBTMMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent tertiary carboxylic acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • chloroacetamides
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • chloroacetamide
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound