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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:25 UTC
Update Date2025-03-21 18:40:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130446
Frequency19.4
Structure
Chemical FormulaC4H12N2O
Molecular Mass104.095
SMILESCNCC(O)CN
InChI KeyKLYMOBVXBBPTGW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • amine