Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:03 UTC
Update Date2025-03-25 00:45:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151258
Frequency0.5
Structure
Chemical FormulaC9H14NO5P
Molecular Mass247.061
SMILESCc1nccc(CO)c1CCOP(=O)(O)O
InChI KeyCOXPJUWIAQRQGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • monoalkyl phosphates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic alcohol
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • organic oxide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound