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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204613
Frequency0.5
Structure
Chemical FormulaC8H14NO9P2S+
Molecular Mass361.9859
SMILESO=Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1CCO
InChI KeyFHLLXQNFSMYWQH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • alcohols and polyols
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • organic pyrophosphate
  • 4,5-disubstituted 1,3-thiazole
  • organic oxide
  • aryl-aldehyde
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organoheterocyclic compound
  • organooxygen compound
  • azole