Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:52:23 UTC
Update Date2025-03-21 22:59:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00609866
Frequency2.6
Structure
Chemical FormulaC4H12N2O
Molecular Mass104.095
SMILESCC(O)(CN)CN
InChI KeyCZQZKJOXYDUHCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • tertiary alcohol
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound