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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:41:40 UTC
Update Date2025-03-25 01:08:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02296397
Frequency0.5
Structure
Chemical FormulaC44H79NO41P2
Molecular Mass1339.3603
SMILESNCCOP(=O)(O)OP(=O)(O)OC1C(OC2C(O)C(CO)OC(OC3C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3O)C2O)OC(C(O)CO)C1C(O)CO
InChI KeyYQNOTNVQIPCVIY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organic pyrophosphates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phosphoethanolamines
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • pentose phosphate
  • phosphoethanolamine
  • organic oxide
  • acetal
  • cyclobutanol
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate