Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:05:46 UTC
Update Date2025-03-25 01:18:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02352615
Frequency0.5
Structure
Chemical FormulaC6H13NO
Molecular Mass115.0997
SMILESCN(C)CC1(O)CC1
InChI KeyBCEAVHXDEGAQCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • tertiary alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • cyclopropanol
  • organic nitrogen compound
  • amine
  • tertiary amine