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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:15 UTC
Update Date2025-03-25 00:54:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206361
Frequency0.5
Structure
Chemical FormulaC12H22N2O9
Molecular Mass338.1325
SMILESNC(CCCCN(O)C1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChI KeyQEJHZRAQOALSGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • amino fatty acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monosaccharides
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • medium-chain hydroxy acid
  • n-glucuronide
  • beta-hydroxy acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • amino fatty acid
  • n-organohydroxylamine
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound