Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:58:14 UTC
Update Date2025-03-21 18:05:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00057991
Frequency54.6
Structure
Chemical FormulaC15H23N4S+
Molecular Mass291.1638
SMILESCCCCCc1sc[n+](Cc2cnc(C)nc2N)c1C
InChI KeyGXAQYDZDPHLSES-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organopnictogen compounds
  • primary amines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • thiamine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • thiazole
  • amine
  • azole