Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:39 UTC
Update Date2025-03-25 00:48:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168495
Frequency0.5
Structure
Chemical FormulaC5H13NO2
Molecular Mass119.0946
SMILESCC(C)C(O)(O)CN
InChI KeyPXLJEVIFQDABKD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent carbonyl hydrates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl hydrate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound