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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:16:46 UTC
Update Date2025-03-21 23:12:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00666714
Frequency2.4
Structure
Chemical FormulaC6H11NO2
Molecular Mass129.079
SMILESNCC1(O)C=CCCO1
InChI KeyVGTBPVUGCJXAEW-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
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • oxacycle
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound