Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:52:38 UTC
Update Date2025-03-24 18:00:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01040538
Frequency1.3
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESNCC(O)C1C=CCC1
InChI KeyAOEJLHLQJCXUBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound