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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:17 UTC
Update Date2025-03-25 00:48:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169946
Frequency0.5
Structure
Chemical FormulaC12H21NO13S
Molecular Mass419.0734
SMILESCC(=O)NC1C(O)C(OS(=O)(=O)O)CC(O)(C(=O)O)OC1C(O)C(O)CO
InChI KeyQKSNSAFLXFZLON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxepanes
Subclass oxepanes
Direct Parent oxepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl sulfates
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • primary alcohol
  • acetamide
  • alcohol
  • organic sulfuric acid or derivatives
  • hydroxy acid
  • carboxamide group
  • oxepane
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound