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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:44 UTC
Update Date2025-03-25 01:00:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244153
Frequency0.5
Structure
Chemical FormulaC22H43NO5
Molecular Mass401.3141
SMILESCCCCCCCCCCCCCC=CC(=O)C(NCCO)C(O)C(O)CO
InChI KeyVSLSIWFEYYBXDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent b'-hydroxy-alpha,beta-unsaturated ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acryloyl compounds
  • alkanolamines
  • beta-hydroxy ketones
  • dialkylamines
  • enones
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • b'-hydroxy-alpha,beta-unsaturated-ketone
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • primary alcohol
  • amine
  • alkanolamine
  • enone