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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:14 UTC
Update Date2025-03-25 00:51:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188162
Frequency0.5
Structure
Chemical FormulaC13H25NO16P2
Molecular Mass513.0649
SMILESCC(=O)NC1C(OP(=O)(O)O)OC(COP(=O)(O)OC2OC(CO)C(O)C2O)C(O)C1O
InChI KeyQDITUCBZEIYFKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl phosphates
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate