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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:43:43 UTC
Update Date2025-03-24 21:45:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01881086
Frequency0.6
Structure
Chemical FormulaC3H6ClNO
Molecular Mass107.0138
SMILESNCCC(=O)Cl
InChI KeyGLABFZPEHHFGDW-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
  • monoalkylamines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organochloride
  • organic oxide
  • organic oxygen compound
  • acyl chloride
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound