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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:24 UTC
Update Date2025-03-25 00:57:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223091
Frequency0.5
Structure
Chemical FormulaC12H22N2O8
Molecular Mass322.1376
SMILESNC(CCC(=O)NC1C(O)OC(CO)C(O)C1O)C(O)C=O
InChI KeyGYNUBRSMWCIRMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent acylaminosugars
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydroxyaldehydes
  • carboxylic acids and derivatives
  • gamma amino acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • gamma amino acid or derivatives
  • fatty amide
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alpha-hydroxyaldehyde
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • aldehyde
  • carboxamide group
  • n-acyl-amine
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound