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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:07 UTC
Update Date2025-03-25 00:49:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171844
Frequency0.5
Structure
Chemical FormulaC6H14N2O
Molecular Mass130.1106
SMILESCN(C)C=NCCCO
InChI KeyYTFAOVAQZKEUNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classpropargyl-type 1,3-dipolar organic compounds
Subclass propargyl-type 1,3-dipolar organic compounds
Direct Parent propargyl-type 1,3-dipolar organic compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carboximidamides
  • formamidines
  • hydrocarbon derivatives
  • organopnictogen compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • amidine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • formamidine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound