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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:06 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164951
Frequency0.5
Structure
Chemical FormulaC12H21NO3
Molecular Mass227.1521
SMILESCC=C(O)CNC(=C=O)CCCCC(C)O
InChI KeySGYAPZCXRJTUES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkanolamines
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • ynolate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • alkanolamine