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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:47 UTC
Update Date2025-03-25 00:50:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182582
Frequency0.5
Structure
Chemical FormulaC6H14O15P2S
Molecular Mass419.9529
SMILESO=P(O)(O)OP(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(O)C1O
InChI KeyGRQNPUJLPINNAO-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
  • 1,2-diols
  • alkyl sulfates
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organic pyrophosphates
  • oxacyclic compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • pentose phosphate
  • pentose-5-phosphate
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • organic pyrophosphate
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organic phosphoric acid derivative
  • alkyl phosphate