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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:14 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204063
Frequency0.5
Structure
Chemical FormulaC5H6F3NO
Molecular Mass153.0401
SMILESOC1(C(F)(F)F)CCC=N1
InChI KeyTXTMPANBCGXBSD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • alkyl fluorides
  • azacyclic compounds
  • fluorohydrins
  • hydrocarbon derivatives
  • imines
  • organofluorides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • halohydrin
  • imine
  • alkyl fluoride
  • organofluoride
  • organic 1,3-dipolar compound
  • fluorohydrin
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • pyrroline
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine