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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:55:29 UTC
Update Date2025-03-21 23:00:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00617002
Frequency2.6
Structure
Chemical FormulaC5H10N2O
Molecular Mass114.0793
SMILESO=C1CCCNCN1
InChI KeyWXRQTXIXQXHBRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazepanes
Subclass 1,3-diazepanes
Direct Parent 1,3-diazepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • 1,3-diazepane
  • secondary aliphatic amine
  • carbonyl group
  • lactam
  • azacycle
  • amino acid or derivatives
  • secondary amine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine