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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:26 UTC
Update Date2025-03-25 01:00:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241098
Frequency0.5
Structure
Chemical FormulaC34H56Cl2N2O24
Molecular Mass946.26
SMILESCC(=O)NC1C(OCC2OC(OC3(CCl)OC(CCl)C(O)C3O)C(O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(C)=O)C2O)OC(CO)C(O)C1O
InChI KeyHGJZYDBXLMYSHK-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
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketals
  • monosaccharides
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
    • Substituents
  • carbonyl group
  • alkyl chloride
  • organochloride
  • monosaccharide
  • carboxylic acid derivative
  • organohalogen compound
  • n-acyl-alpha-hexosamine
  • organic oxide
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • tetrahydrofuran
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound