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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:20 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218284
Frequency0.5
Structure
Chemical FormulaC13H18N5O2S+
Molecular Mass308.1176
SMILESCc1ncc(C[n+]2csc(CCC[N+](=O)[O-])c2C)c(N)n1
InChI KeyOXYBYLUKVUAVSJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent thiamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • azacyclic compounds
  • c-nitro compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • primary amines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic nitro compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • thiamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • imidolactam
  • thiazole
  • amine
  • organic hyponitrite
  • azole