Hmdb loader

Showing information for DMID02206885

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:28 UTC
Update Date2025-03-25 00:54:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02206885
Frequency0.5
Structure
Chemical FormulaC12H21NO18S2
Molecular Mass531.02
SMILESO=C(O)C1OC(O)C(O)(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)C(O)C1O
InChI KeyLIUOATWBJQJKBM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoamides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • beta-hydroxy acid
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • sulfuric acid monoamide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester