Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:24:55 UTC
Update Date2025-03-24 16:50:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00974476
Frequency1.5
Structure
Chemical FormulaC5H9NO2
Molecular Mass115.0633
SMILESNC1CC(O)C=CO1
InChI KeyMSABHHGVWBAUIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound