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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:38:44 UTC
Update Date2025-03-24 22:09:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02011599
Frequency0.6
Structure
Chemical FormulaC40H68N2O29
Molecular Mass1040.3908
SMILESCC(=O)NC1CC(OC2OC(C)C(O)C(O)C2O)(OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(COC2OC(CO)C(O)C(O)C2NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C1O
InChI KeyJUALWXUJZRYTKQ-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
  • 1,4-dioxepanes
  • acetamides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • cyclopentanols
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • 1,4-dioxepane
  • aldehyde
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • dioxepane
  • cyclopentanol
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound