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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:32:02 UTC
Update Date2025-03-25 01:28:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02413486
Frequency0.5
Structure
Chemical FormulaC36H62N2O26S
Molecular Mass970.3312
SMILESCC(=O)NC1C(OC2C(O)C(CSCCC(N)C(=O)O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O
InChI KeyCNCUKLMMQRMJAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • acetamides
  • alpha amino acids
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl-alpha-hexosamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
  • sulfenyl compounds
  • thia fatty acids
    • Substituents
  • fatty acyl
  • beta-hydroxy aldehyde
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • monosaccharide
  • fatty acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • n-acyl-alpha-hexosamine
  • saccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • sulfenyl compound
  • dialkylthioether
  • aldehyde
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • thia fatty acid
  • organic oxygen compound
  • thioether
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • saccharolipid
  • organooxygen compound