Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:11:36 UTC
Update Date2025-03-24 21:57:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01946634
Frequency0.6
Structure
Chemical FormulaC6H11FO2
Molecular Mass134.0743
SMILESCCCOC(=O)C(C)F
InChI KeyLXPTXVYIIYSSHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass alpha-halocarboxylic acids and derivatives
Direct Parent alpha-halocarboxylic acid derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound