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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:08 UTC
Update Date2025-03-25 00:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176506
Frequency0.5
Structure
Chemical FormulaC16H29NO13
Molecular Mass443.1639
SMILESO=CC(O)C(O)CNCC1(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChI KeyHJZPIBFNADWJAL-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
  • acetals
  • alpha-hydroxyaldehydes
  • beta-hydroxy aldehydes
  • dialkylamines
  • hemiacetals
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • beta-hydroxy aldehyde
  • carbonyl group
  • monosaccharide
  • organic oxide
  • alpha-hydroxyaldehyde
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • tetrahydrofuran
  • aldehyde
  • secondary amine
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine