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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:15:07 UTC
Update Date2025-03-21 22:13:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00520867
Frequency3.2
Structure
Chemical FormulaC4H7ClO3
Molecular Mass138.0084
SMILESO=C(CCl)C(O)CO
InChI KeyIWCSPRBIZOEOTG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • acyloins
  • alkyl chlorides
  • alpha-chloroketones
  • alpha-hydroxy ketones
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • organochloride
  • monosaccharide
  • alpha-hydroxy ketone
  • organohalogen compound
  • alpha-chloroketone
  • ketone
  • organic oxide
  • acyloin
  • secondary alcohol
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • primary alcohol
  • 1,2-diol