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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:46:53 UTC
Update Date2025-03-24 20:53:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01602061
Frequency0.8
Structure
Chemical FormulaC28H48N2O31S3
Molecular Mass1004.1403
SMILESCC(=O)NC1C(O)CC(COS(=O)(=O)O)OC1OC1C(O)C(C(O)CO)OC(OCC2OC(OC3C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C3O)C(O)C(O)C2O)(C(=O)O)C1O
InChI KeyBEJZSNUSWLRZIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl sulfates
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • glucuronic acid derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • pyran carboxylic acids
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoamides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • acetal
  • ketal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • acetamide
  • c-glucuronide
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyran
  • sulfuric acid monoamide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester