Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:24:40 UTC
Update Date2025-03-24 20:18:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01406093
Frequency0.9
Structure
Chemical FormulaC5H7FO
Molecular Mass102.0481
SMILESCC=C(F)C(C)=O
InChI KeyGOSACQOPOHLSDV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-branched alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alpha-haloketones
  • enones
  • fluoroalkenes
  • hydrocarbon derivatives
  • organic oxides
  • organofluorides
  • vinyl fluorides
  • Substituents
  • alpha-branched alpha,beta-unsaturated-ketone
  • aliphatic acyclic compound
  • organofluoride
  • vinyl fluoride
  • organohalogen compound
  • ketone
  • organic oxide
  • vinyl halide
  • haloalkene
  • alpha-haloketone
  • hydrocarbon derivative
  • acryloyl-group
  • fluoroalkene
  • enone