Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:24 UTC
Update Date2025-03-25 00:48:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170209
Frequency0.5
Structure
Chemical FormulaC21H39NO6
Molecular Mass401.2777
SMILESCCCCCCCCCCCC=CC(O)C=NC1C(O)OC(CO)C(O)C1O
InChI KeyDTGACAJGTWXCIV-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
  • aldimines
  • hemiacetals
  • hydrocarbon derivatives
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • imine
  • monosaccharide
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • aldimine
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound