Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:51:16 UTC
Update Date2025-03-24 21:48:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01898627
Frequency0.6
Structure
Chemical FormulaC2H4Cl2NO+
Molecular Mass127.9664
SMILESO=[N+](Cl)CCCl
InChI KeyYPNOBQAFOZRQJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoazanium compounds
Subclass organic oxoazanium compounds
Direct Parent organic oxoazanium compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl chlorides
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • alkyl chloride
  • organochloride
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium