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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:06 UTC
Update Date2025-03-25 01:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251945
Frequency0.5
Structure
Chemical FormulaC9H20NO17P3
Molecular Mass506.9944
SMILESO=P(O)(O)OCC1ON(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)C(O)C1O
InChI KeyKYEFZRXHUMPPHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • isoxazolidines
  • monoalkyl phosphates
  • monosaccharides
  • n-organohydroxylamines
  • organic oxides
  • organic pyrophosphates
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • pentose-5-phosphate
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alkanolamine
  • alcohol
  • azacycle
  • tetrahydrofuran
  • isoxazolidine
  • n-organohydroxylamine
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate