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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:52 UTC
Update Date2025-03-25 00:52:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02191844
Frequency0.5
Structure
Chemical FormulaC29H47NO25
Molecular Mass809.2437
SMILESCC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC(C(O)C=O)C(O)C(O)C(=O)O)C3O)OC(CO)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyBTHQYKXWKWXPFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetamides
  • alpha hydroxy acids and derivatives
  • alpha-hydroxyaldehydes
  • amino fatty acids
  • beta hydroxy acids and derivatives
  • c-glucuronides
  • carboxylic acid orthoesters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • glucuronic acid derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • ketals
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • ortho ester
  • heterocyclic fatty acid
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • carboxylic acid orthoester
  • carboxylic acid derivative
  • pyran carboxylic acid
  • medium-chain hydroxy acid
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • orthocarboxylic acid derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • aldehyde
  • hydroxy acid
  • carboxamide group
  • amino fatty acid
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • saccharolipid
  • meta-dioxane
  • organooxygen compound