Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:19 UTC
Update Date2025-03-21 18:03:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00041676
Frequency82.3
Structure
Chemical FormulaC8H17NO2
Molecular Mass159.1259
SMILESOCCOCCN1CCCC1
InChI KeyKWLQXGKYBGCUTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • dialkyl ethers
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • alcohol
  • ether
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • dialkyl ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound