Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:28 UTC
Update Date2025-03-25 00:55:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213995
Frequency0.5
Structure
Chemical FormulaC12H23NO2
Molecular Mass213.1729
SMILESCCCCCNC(=C=O)C(O)CCCC
InChI KeyZLTDUJJLVIVXDP-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
  • 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