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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:04 UTC
Update Date2025-03-25 00:50:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183217
Frequency0.5
Structure
Chemical FormulaC7H3F12O8PS
Molecular Mass505.9095
SMILESO=C(OP(=O)(O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O
InChI KeyIRWJAVFBXIYTIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent acyl monophosphates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl fluorides
  • alpha-halocarboxylic acid derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organic phosphoric acids and derivatives
  • organofluorides
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • alpha-halocarboxylic acid or derivatives
  • aliphatic acyclic compound
  • organosulfonic acid or derivatives
  • carbonyl group
  • alkyl fluoride
  • organofluoride
  • acyl monophosphate
  • organosulfonic acid
  • organosulfur compound
  • carboxylic acid derivative
  • organohalogen compound
  • alpha-halocarboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • alkyl halide
  • hydrocarbon derivative
  • organooxygen compound