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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:54:27 UTC
Update Date2025-03-25 01:14:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02326131
Frequency0.5
Structure
Chemical FormulaC57H112N2O6P+
Molecular Mass951.8253
SMILESCCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(OCC[N+](C)(C)C)C(O)CCCCCCCC=CCCCCCCC)C(O)CCCCCCCC=CCCCCCCC
InChI KeyFHYJYLCONLKFPK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphonic acids and derivatives
Subclass phosphonic acid diesters
Direct Parent dialkyl alkylphosphonates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic cations
  • organic oxides
  • organic salts
  • organophosphorus compounds
  • organopnictogen compounds
  • phosphonic acid esters
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • dialkyl alkylphosphonate
  • carbonyl group
  • fatty amide
  • carboxylic acid derivative
  • phosphonic acid ester
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organophosphorus compound
  • organic cation
  • organic salt
  • alcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound