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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:13:41 UTC
Update Date2025-03-24 19:57:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01090394
Frequency1.3
Structure
Chemical FormulaC6H15NO2
Molecular Mass133.1103
SMILESCCNC(C)C(O)CO
InChI KeyJUMVAIWNDFOVCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • amine
  • 1,2-diol