Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:54 UTC
Update Date2025-03-25 00:45:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150911
Frequency0.5
Structure
Chemical FormulaC20H39NO6
Molecular Mass389.2777
SMILESCCCCCCCCCCCCCC(=O)OC1OC(CN)C(O)C(O)C1O
InChI KeyJEJFDIAHJTYFGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • oxacycle
  • fatty acid ester
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acetal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound