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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:06:02 UTC
Update Date2025-03-21 19:03:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00218341
Frequency10.0
Structure
Chemical FormulaC4H5ClO3
Molecular Mass135.9927
SMILESCC(C(=O)O)C(=O)Cl
InChI KeyTYEQOKUTSWWBCR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent 1,3-dicarbonyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acyl chlorides
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
    • Substituents
  • aliphatic acyclic compound
  • carboxylic acid
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • acyl halide
  • organic oxide
  • monocarboxylic acid or derivatives
  • acyl chloride
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound