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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:34 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159270
Frequency0.5
Structure
Chemical FormulaC7H17O16P3
Molecular Mass449.9729
SMILESO=P(O)(O)OCC1(O)C(O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O
InChI KeyLMJFNXNDDGOTLA-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
  • cyclohexanols
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • tertiary alcohols
    • Substituents
  • cyclohexanol
  • inositol phosphate
  • tertiary alcohol
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate