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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 IDDMID02250069
Frequency0.5
Structure
Chemical FormulaC16H26NO14+
Molecular Mass456.1348
SMILESC[N+](C)(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)C1OC(C(=O)O)C(O)C(O)C1O
InChI KeyMZCNFQSHHGJOSB-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
  • acetals
  • alpha amino acid esters
  • alpha amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiaminals
  • hydrocarbon derivatives
  • monosaccharides
  • n-glucuronides
  • organic cations
  • organic oxides
  • organic salts
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • tetraalkylammonium salts
  • tricarboxylic acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • o-glucuronide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-glucuronide
  • hemiaminal
  • 1-o-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organic cation
  • oxane
  • organic salt
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • tetraalkylammonium salt
  • alpha-amino acid ester
  • hydroxy acid
  • oxacycle
  • pyran
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound