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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:18 UTC
Update Date2025-03-25 00:45:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149501
Frequency0.5
Structure
Chemical FormulaC17H30N2O12
Molecular Mass454.1799
SMILESCC(=O)NC1C(OC2C(CO)OC(O)C(NC(C)C(=O)O)C2O)OC(CO)C(O)C1O
InChI KeyGRDWAVLWOKFVJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alanine and derivatives
  • alpha amino acids
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • alanine or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine