Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:47:38 UTC
Update Date2025-03-21 21:58:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00456009
Frequency3.8
Structure
Chemical FormulaC8H15NO
Molecular Mass141.1154
SMILESNCCCC1(O)C=CCC1
InChI KeyUSJVLYAKCMDKRX-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
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • tertiary alcohol
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound