Hmdb loader

Showing information for DMID02205031

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:39 UTC
Update Date2025-03-25 00:54:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205031
Frequency0.5
Structure
Chemical FormulaC9H13N4O12PS
Molecular Mass431.9988
SMILESO=P(O)(O)OCC1OC(n2nc(OS(=O)(=O)O)c3nc(O)[nH]c32)C(O)C1O
InChI KeySFICJXFGOHCFBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • arylsulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkyl phosphates
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrazoles
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • pentose phosphate
  • pentose-5-phosphate
  • pyrazole
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • arylsulfate
  • organoheterocyclic compound
  • azole
  • 1,2-diol
  • alcohol
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organic phosphoric acid derivative
  • alkyl phosphate