Hmdb loader

Showing information for DMID02249526

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:03 UTC
Update Date2025-03-25 01:01:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249526
Frequency0.5
Structure
Chemical FormulaC12H18N4O5PS+
Molecular Mass361.073
SMILESCc1c(CCOP(=O)(O)O)sc[n+]1Cc1c(CO)cnnc1N
InChI KeyJMLQKVZNDXJLJZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 4,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyridazines and derivatives
    • Substituents
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • alcohol
  • azacycle
  • heteroaromatic compound
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • pyridazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound