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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:01 UTC
Update Date2025-03-21 18:04:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048195
Frequency68.8
Structure
Chemical FormulaC14H22N4O4PS+
Molecular Mass373.1094
SMILESCCOP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C
InChI KeyAXNPXDOWKRZTAP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent thiamine phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • dialkyl phosphates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • thiamine-phosphate
  • azole
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound