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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:28:54 UTC
Update Date2025-03-21 22:19:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00553657
Frequency3.0
Structure
Chemical FormulaC5H10N2O
Molecular Mass114.0793
SMILESOC1=NCNCCC1
InChI KeyWXRQTXIXQXHBRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepines
Subclass 1,3-diazepines
Direct Parent 1,3-diazepines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic carboximidic acids
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • meta-diazepine
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound
  • amine