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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:04:29 UTC
Update Date2025-03-24 21:28:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01787861
Frequency0.7
Structure
Chemical FormulaC4H8N2O2
Molecular Mass116.0586
SMILESO=[N+]([O-])C1CCNC1
InChI KeyFQHIXMCEMROCGY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidines
Direct Parent pyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • c-nitro compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • pyrrolidine
  • amine
  • organic hyponitrite