Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:34:15 UTC
Update Date2025-03-24 20:22:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01429450
Frequency0.9
Structure
Chemical FormulaC7H14N2O
Molecular Mass142.1106
SMILESCCCN(CC#N)CCO
InChI KeyKTGWWYPCNWWSGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent 1,2-aminoalcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha-aminonitriles
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • nitrile
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • alpha-aminonitrile
  • carbonitrile
  • tertiary amine
  • organooxygen compound