Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:37 UTC
Update Date2025-03-25 00:53:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198037
Frequency0.5
Structure
Chemical FormulaC7H15NO8S
Molecular Mass273.0518
SMILESNC1C(O)C(O)C(O)C(CO)C1OS(=O)(=O)O
InChI KeyPHQKCJXQSRTNDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • sulfuric acid monoesters
  • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • primary alcohol