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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:32:23 UTC
Update Date2025-03-25 01:05:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02275388
Frequency0.5
Structure
Chemical FormulaC3H6ClNO3
Molecular Mass139.0036
SMILESNCC(O)(Cl)C(=O)O
InChI KeyGSBXNNLLWYMHSS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkyl chlorides
  • alpha hydroxy acids and derivatives
  • alpha-halocarboxylic acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alkyl chloride
  • organochloride
  • alpha-hydroxy acid
  • hydroxy acid
  • alpha-halocarboxylic acid
  • organohalogen compound
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound