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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:13 UTC
Update Date2025-03-21 18:35:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105972
Frequency25.5
Structure
Chemical FormulaC9H19NO12P2
Molecular Mass395.0382
SMILESCC(=O)NC1C(O)C(O)C(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI KeyVHBZIHIHYYUILR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • carboxylic acid derivative
  • organic pyrophosphate
  • secondary carboxylic acid amide
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • acetamide
  • organooxygen compound