Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:13 UTC
Update Date2025-03-21 18:02:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00041448
Frequency82.9
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESNC1C=CC(O)C1O
InChI KeyANZCXRBBDIYAAL-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