Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:36:15 UTC
Update Date2025-03-24 13:59:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00713479
Frequency2.2
Structure
Chemical FormulaC4H7ClO3
Molecular Mass138.0084
SMILESCCOC(=O)C(O)Cl
InChI KeyYSNVICWYXOBIQZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl chlorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound