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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:45 UTC
Update Date2025-03-25 00:54:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205243
Frequency0.5
Structure
Chemical FormulaC11H22N2O7
Molecular Mass294.1427
SMILESNCC(O)CCC(O)=NC1C(O)OC(CO)C(O)C1O
InChI KeyVTHBPOVCXWBJBO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboximidic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • carboximidic acid
  • monosaccharide
  • organic 1,3-dipolar compound
  • n-acyl-alpha-hexosamine
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound