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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:43 UTC
Update Date2025-03-25 00:47:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159571
Frequency0.5
Structure
Chemical FormulaC13H27O20P3
Molecular Mass596.0309
SMILESO=P(O)(O)OC1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyJZWMCEPYQKWCJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
    • Substituents
  • alcohol
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • organic pyrophosphate
  • oxacycle
  • saccharide
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organoheterocyclic compound
  • organooxygen compound