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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:16 UTC
Update Date2025-03-25 01:01:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250018
Frequency0.5
Structure
Chemical FormulaC14H26NO9+
Molecular Mass352.1602
SMILESC[N+](C)(C)C(CO)CCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI KeyBNVPJLIDXYNNDJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent o-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • acetals
  • amines
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • cholines
  • dicarboxylic acids and derivatives
  • fatty acid esters
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • tetraalkylammonium salts
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • oxane
  • organic salt
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetraalkylammonium salt
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • hydroxy acid
  • oxacycle
  • fatty acid ester
  • pyran
  • choline
  • carboxylic acid ester
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine