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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:14 UTC
Update Date2025-03-25 01:01:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252215
Frequency0.5
Structure
Chemical FormulaC9H16N2O5S
Molecular Mass264.078
SMILESNC1C(O)CC(N=C=S)OC1C(O)C(O)CO
InChI KeyVFEZQCPSGAVEKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • isothiocyanate
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organooxygen compound