Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:35:07 UTC
Update Date2025-03-25 01:29:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02420625
Frequency0.5
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESNC1C(O)CC2CC1O2
InChI KeyHURNYMKUJIZOKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxetanes
  • secondary alcohols
  • Substituents
  • alcohol
  • ether
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxygen compound
  • oxetane
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organooxygen compound