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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:38 UTC
Update Date2025-03-21 18:07:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00068466
Frequency44.2
Structure
Chemical FormulaC7H11NO5S
Molecular Mass221.0358
SMILESOCC1OC(O)C(N=C=S)C(O)C1O
InChI KeyGFCSXUCHIJHNET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hemiacetals
  • hydrocarbon derivatives
  • isothiocyanates
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • isothiocyanate
  • monosaccharide
  • organic 1,3-dipolar compound
  • organosulfur compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound