Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:26:26 UTC
Update Date2025-03-24 20:19:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01410422
Frequency0.9
Structure
Chemical FormulaC4H7ClO
Molecular Mass106.0185
SMILESC=C(Cl)C(C)O
InChI KeyKEIYIDKDAHPTNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganohalogen compounds
Classhalohydrins
Subclass chlorohydrins
Direct Parent chlorohydrins
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • chloroalkenes
  • hydrocarbon derivatives
  • organochlorides
  • secondary alcohols
  • vinyl chlorides
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • chlorohydrin
  • chloroalkene
  • organochloride
  • organic oxygen compound
  • vinyl halide
  • haloalkene
  • secondary alcohol
  • hydrocarbon derivative
  • vinyl chloride
  • organooxygen compound