Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:45 UTC
Update Date2025-03-25 00:52:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02193777
Frequency0.5
Structure
Chemical FormulaC6H13O4P
Molecular Mass180.0551
SMILESCCOP(=O)(O)CCC(C)=O
InChI KeyOQTABZNDAZPORO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphonic acids and derivatives
Subclass phosphonic acid esters
Direct Parent phosphonic acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organophosphorus compounds
  • organopnictogen compounds
  • Substituents
  • ketone
  • phosphonic acid ester
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • organophosphorus compound
  • hydrocarbon derivative
  • organooxygen compound