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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:34 UTC
Update Date2025-03-25 00:52:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191142
Frequency0.5
Structure
Chemical FormulaC17H27N3O12
Molecular Mass465.1595
SMILESCC(=O)NC1C(OC(=O)C(CC(=O)O)NC(=O)CCC(N)C(=O)O)OC(CO)C(O)C1O
InChI KeyBEOLZYBPJJZPPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha-amino acyl ester of carbohydrates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alpha amino acids
  • aspartic acid and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • fatty acid esters
  • fatty acyl glycosides of mono- and disaccharides
  • glutamine and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha amino acids
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • carboxylic acid
  • glutamine or derivatives
  • fatty amide
  • monosaccharide
  • tricarboxylic acid or derivatives
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • fatty acyl glycoside
  • n-acyl-alpha-amino acid
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • fatty acid ester
  • organic oxygen compound
  • carboxylic acid ester
  • alpha-amino acyl ester of carbohydrate
  • aspartic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound