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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:55 UTC
Update Date2025-03-25 00:47:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160020
Frequency0.5
Structure
Chemical FormulaC13H20N3O13P
Molecular Mass457.0734
SMILESO=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1C1CC(O)C(CO)O1
InChI KeyIQXMGVCWEGUBGP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3,5-triazines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • triazinones
  • ureas
    • Substituents
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pentose-5-phosphate
  • urea
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • triazine
  • hydrocarbon derivative
  • 1,3,5-triazine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • triazinone
  • alkyl phosphate