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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:48 UTC
Update Date2025-03-25 00:57:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226162
Frequency0.5
Structure
Chemical FormulaC11H20N2O9
Molecular Mass324.1169
SMILESCC(=O)NC1OC(CO)C(O)C(O)C1N(O)C(CO)C(=O)O
InChI KeyLNKSTPCHBJIABB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent serine and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-organohydroxylamines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • hydroxy acid
  • carboxamide group
  • n-organohydroxylamine
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • serine or derivatives
  • organooxygen compound