Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:18:43 UTC
Update Date2025-03-24 22:00:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01963681
Frequency0.6
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESCN1C=CC(O)C(O)C1O
InChI KeyRRYWJEAISCCEPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkanolamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • tetrahydropyridine
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine
  • 1,2-diol