Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:17:52 UTC
Update Date2025-03-25 00:38:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02104369
Frequency0.6
Structure
Chemical FormulaC5H9NO3
Molecular Mass131.0582
SMILESNC1OC=CC(O)C1O
InChI KeyLELKTJNEVMRMHU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent 1,2-diols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • Substituents
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • 1,2-diol