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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:37 UTC
Update Date2025-03-21 18:31:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087499
Frequency57.8
Structure
Chemical FormulaC6H18O23P6S
Molecular Mass675.8385
SMILESO=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(O)(O)=S)C(OP(=O)(O)O)C1OP(=O)(O)O
InChI KeyKIBNUMFSPYIJQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent inositol phosphates
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organooxygen compounds
  • thiophosphate monoesters
    • Substituents
  • thiophosphoric acid ester
  • inositol phosphate
  • thiophosphate monoester
  • organic thiophosphoric acid or derivatives
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate