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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:04 UTC
Update Date2025-03-25 00:49:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174048
Frequency0.5
Structure
Chemical FormulaC23H46N2O5P+
Molecular Mass461.3139
SMILESCCCCCC=CCCCCCCC=CC(=O)C(N)COP(=O)(O)OCC[N+](C)(C)C
InChI KeyBTDAHIBNYBOBHO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent phosphocholines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • amines
  • dialkyl phosphates
  • enones
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphoethanolamines
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • ketone
  • phosphoethanolamine
  • organic oxide
  • organopnictogen compound
  • organic cation
  • organic salt
  • enone
  • tetraalkylammonium salt
  • phosphocholine
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • hydrocarbon derivative
  • acryloyl-group
  • primary aliphatic amine
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound