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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:06:25 UTC
Update Date2025-03-24 21:02:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01649261
Frequency0.8
Structure
Chemical FormulaC47H80N2O37
Molecular Mass1264.444
SMILESCC(=O)NC1C(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1O
InChI KeyWIHYWJVWJNWOPJ-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
  • 1,3-dioxepanes
  • acetals
  • acetamides
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acid orthoesters
  • carboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • 1,3-dioxepane
  • beta-hydroxy aldehyde
  • carbonyl group
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • fatty acyl glycoside
  • aldehyde
  • carboxamide group
  • dioxepane
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkyl glycoside