Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:38:51 UTC
Update Date2025-03-21 21:54:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00435504
Frequency4.1
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESNC1CC=CC(O)C1O
InChI KeyAIJSSAYLXSSIRE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,2-diol