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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:28 UTC
Update Date2025-03-25 00:51:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186418
Frequency0.5
Structure
Chemical FormulaC9H16N2O8
Molecular Mass280.0907
SMILESNC1C(O)CC(O)(C(=O)O)OC1C(N)C(O)C(=O)O
InChI KeyMRMMPGXQLAZOAQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • delta amino acids and derivatives
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • delta amino acid or derivatives
  • oxane
  • organoheterocyclic compound
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • beta amino acid or derivatives
  • oxacycle
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound