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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:11:26 UTC
Update Date2025-03-21 23:10:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00654233
Frequency2.4
Structure
Chemical FormulaC4H9NO3
Molecular Mass119.0582
SMILESNCC1(O)OCC1O
InChI KeyQAQYPBQWOASJFT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxetanes
Subclass oxetanes
Direct Parent oxetanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • oxacycle
  • organic oxygen compound
  • oxetane
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound