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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:37:08 UTC
Update Date2025-03-24 21:42:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01865624
Frequency0.7
Structure
Chemical FormulaC44H77NO26
Molecular Mass1035.4734
SMILESCCCCCCCCCCCC=CC(=O)NC1C(OC2C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(C)C(O)C(O)C2O)(OC2OC(CO)C(O)C(O)C2O)C1O
InChI KeyJSFATXNBEIGXGD-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
  • alkyl glycosides
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • hydrocarbon derivatives
  • ketals
  • 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
  • fatty acyl glycoside of mono- or disaccharide
  • carbonyl group
  • beta-hydroxy aldehyde
  • 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
  • alcohol
  • fatty acyl glycoside
  • aldehyde
  • carboxamide group
  • n-acyl-amine
  • acylaminosugar
  • oxacycle
  • secondary carboxylic acid amide
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • alkyl glycoside