Hmdb loader

Showing information for DMID02211713

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:29 UTC
Update Date2025-03-25 00:55:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211713
Frequency0.5
Structure
Chemical FormulaC31H51N3O30S2
Molecular Mass1009.1999
SMILESCC(=O)NC1C(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)OC(C(=O)O)C(OC2OC(COC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C(O)C(O)C2O)C1O
InChI KeyWVJMYLQBMPAJQW-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 sulfates
  • c-glucuronides
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyl glycosides of mono- and disaccharides
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • 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
  • fatty acyl
  • fatty acyl glycoside of mono- or disaccharide
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • n-acyl-alpha-hexosamine
  • 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
  • fatty acyl glycoside
  • carboxamide group
  • oxacycle
  • secondary carboxylic acid amide
  • pyran
  • sulfuric acid monoamide
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester