Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:37:23 UTC
Update Date2025-03-21 17:57:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00009382
Frequency514.6
Structure
Chemical FormulaC6H15NO2
Molecular Mass133.1103
SMILESCC(C)NCC(O)CO
InChI KeyYKBZGEJJKPNRSI-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