Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:55:08 UTC
Update Date2025-03-21 18:04:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00050784
Frequency64.5
Structure
Chemical FormulaC4H6F3NO
Molecular Mass141.0401
SMILESCC(N)C(=O)C(F)(F)F
InChI KeyXDSRRWBHHSHTGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-haloketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alpha-haloketone
  • alkyl halide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound