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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:35 UTC
Update Date2025-03-21 18:00:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030330
Frequency122.6
Structure
Chemical FormulaC14H19N4O2S+
Molecular Mass307.1223
SMILESCC(=O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C
InChI KeyPDUYVBMLHXYKCF-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
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • primary amines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • thiamine
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • azole
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazole
  • amine
  • organooxygen compound