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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:18 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250092
Frequency0.5
Structure
Chemical FormulaC7H18N2O6P+
Molecular Mass257.0897
SMILESC[N+](C)(C)CC(OP(=O)(O)O)C(N)C(=O)O
InChI KeyFCOPUJRVZBLIEP-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
  • alpha amino acids
  • amines
  • carbonyl compounds
  • carboxylic acids
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphoethanolamines
  • short-chain hydroxy acids and derivatives
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • phosphoethanolamine
  • organic oxide
  • alpha-amino acid
  • organopnictogen compound
  • organic cation
  • organic salt
  • tetraalkylammonium salt
  • phosphocholine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound