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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:19:47 UTC
Update Date2025-03-24 20:01:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01105319
Frequency1.2
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESOCC(O)C1CC=CN1
InChI KeyNCXKRLGZPRLEPJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • organooxygen compound
  • amine
  • 1,2-diol