Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:53:15 UTC
Update Date2025-03-21 22:00:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00469265
Frequency3.7
Structure
Chemical FormulaC3H5ClO4
Molecular Mass139.9876
SMILESO=C(O)C(O)(O)CCl
InChI KeyCNAGXTKRVRJCMI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass alpha hydroxy acids and derivatives
Direct Parent alpha hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • carbonyl compounds
  • carbonyl hydrates
  • carboxylic acids
  • chlorohydrins
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • chlorohydrin
  • carbonyl hydrate
  • halohydrin
  • alkyl chloride
  • organochloride
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound