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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:52 UTC
Update Date2025-03-25 00:46:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153154
Frequency0.5
Structure
Chemical FormulaC13H17N5O2S
Molecular Mass307.1103
SMILESC=CCSCC1OC(n2cnc3c(N)ncnc32)CC1O
InChI KeyFEMPZRPYNJKIBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Class2',5'-dideoxyribonucleosides
Subclass 2',5'-dideoxyribonucleosides
Direct Parent 2',5'-dideoxyribonucleosides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • azacyclic compounds
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • monosaccharides
  • n-substituted imidazoles
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • purines and purine derivatives
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • sulfenyl compounds
  • tetrahydrofurans
  • Substituents
  • 2',5'-dideoxyribonucleoside
  • allyl sulfur compound
  • monosaccharide
  • imidazopyrimidine
  • organosulfur compound
  • pyrimidine
  • saccharide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • sulfenyl compound
  • azacycle
  • tetrahydrofuran
  • dialkylthioether
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • purine
  • organic nitrogen compound
  • amine
  • organooxygen compound