Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:18 UTC
Update Date2025-03-21 18:37:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115937
Frequency22.7
Structure
Chemical FormulaC10H14BrO3PS
Molecular Mass323.9585
SMILESCCOP(=S)(OCC)Oc1ccc(Br)cc1
InChI KeyMCPNCHTWVMMDJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic thiophosphoric acids and derivatives
Subclass thiophosphoric acid esters
Direct Parent phenyl thiophosphates
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl bromides
  • bromobenzenes
  • hydrocarbon derivatives
  • organobromides
  • organooxygen compounds
  • phenoxy compounds
  • thiophosphate triesters
  • Substituents
  • monocyclic benzene moiety
  • bromobenzene
  • phenyl thiophosphate
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • thiophosphate triester
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • organooxygen compound