Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:50 UTC
Update Date2025-03-21 18:38:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119624
Frequency21.8
Structure
Chemical FormulaC6H11NO4PS+
Molecular Mass224.0141
SMILESC[n+]1csc(CCOP(=O)(O)O)c1
InChI KeyBSBHAGCVKRMREQ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent monoalkyl phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • thiazoles
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • thiazole
  • organoheterocyclic compound
  • organooxygen compound
  • azole