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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:59 UTC
Update Date2025-03-21 18:36:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00112732
Frequency23.5
Structure
Chemical FormulaC9H18NO10P
Molecular Mass331.0668
SMILESCC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C(O)C1O
InChI KeyLBTUCSQCDQZKEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • alcohol
  • carbonyl group
  • carboxamide group
  • carboxylic acid derivative
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organic phosphoric acid derivative
  • alkyl phosphate
  • acetamide
  • organooxygen compound