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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:08:24 UTC
Update Date2025-03-25 00:35:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02082081
Frequency0.6
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESCN1C(=O)CC2OC21
InChI KeyDIPUDNHLUDSVPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxazinanes
Subclass 1,3-oxazinanes
Direct Parent 1,3-oxazinanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • epoxides
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • oxirane
  • 1,3-oxazinane
  • carboxamide group
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound