Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:30 UTC
Update Date2025-03-21 18:34:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099258
Frequency27.7
Structure
Chemical FormulaC7H12F3NO2S2
Molecular Mass263.0262
SMILESNC(CCSSCCC(F)(F)F)C(=O)O
InChI KeyJULXYTIEZJYJOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • carbonyl compounds
  • carboxylic acids
  • dialkyldisulfides
  • halogenated fatty acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
  • thia fatty acids
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • organosulfur compound
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alkyl halide
  • halogenated fatty acid
  • sulfenyl compound
  • alkyl fluoride
  • organofluoride
  • dialkyldisulfide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • organic disulfide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound