Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:24 UTC
Update Date2025-03-25 00:56:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218445
Frequency0.5
Structure
Chemical FormulaC8H13O5PS
Molecular Mass252.0221
SMILESCc1csc(COP(=O)(O)O)c1CCO
InChI KeyZLPQHBMAUVEFCU-UHFFFAOYSA-N
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
  • alcohols and polyols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • thiophenes
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • thiophene
  • organic oxide
  • organic oxygen compound
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound