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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:50 UTC
Update Date2025-03-25 00:50:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182711
Frequency0.5
Structure
Chemical FormulaC9H15O12P
Molecular Mass346.0301
SMILESO=CC(OC1OC(COP(=O)(O)O)C(O)C(O)C1O)C(=O)O
InChI KeyTWKOOQNMVKKYDN-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
  • 1,3-dicarbonyl compounds
  • acetals
  • aldehydes
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • oxane
  • organoheterocyclic compound
  • alcohol
  • aldehyde
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organic phosphoric acid derivative
  • alkyl phosphate