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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:24:03 UTC
Update Date2025-03-24 20:03:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01115621
Frequency1.2
Structure
Chemical FormulaC6H11NO3
Molecular Mass145.0739
SMILESNCC1C=CC(O)C(O)O1
InChI KeyTWFRIPVDJIAJPR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyrans
Direct Parent pyrans
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • oxacycle
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound