Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:02:29 UTC
Update Date2025-03-21 18:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00209937
Frequency10.5
Structure
Chemical FormulaC6H16N2O
Molecular Mass132.1263
SMILESCC(C)NCC(O)CN
InChI KeyYNIKRGJRGCMOSG-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
  • monoalkylamines
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine