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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:12:26 UTC
Update Date2025-03-21 22:12:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00514512
Frequency3.3
Structure
Chemical FormulaC4H10N2O
Molecular Mass102.0793
SMILESCNCC(=O)CN
InChI KeyDQUJGRKRRRJUJX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine