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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:03:58 UTC
Update Date2025-03-21 18:28:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071634
Frequency41.9
Structure
Chemical FormulaC8H13NO5S
Molecular Mass235.0514
SMILESCN1C2CC(OS(=O)(=O)O)CC1C1OC12
InChI KeyTUPNQLPYHIDRET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazinanes
Subclass morpholines
Direct Parent morpholines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • dialkyl ethers
  • epoxides
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • piperidines
  • sulfuric acid monoesters
  • trialkylamines
    • Substituents
  • sulfuric acid monoester
  • ether
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organic sulfuric acid or derivatives
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • oxirane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound