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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:54:29 UTC
Update Date2025-03-25 01:37:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02465973
Frequency0.5
Structure
Chemical FormulaC37H61ClN2O28
Molecular Mass1016.3099
SMILESCC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(Cl)C(O)C5O)C4NC(C)=O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeySKPPNJQBDCVAIU-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
  • acetamides
  • alkyl chlorides
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • chlorohydrins
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • chlorohydrin
  • alkyl chloride
  • organochloride
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • halohydrin
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound