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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:19:16 UTC
Update Date2025-03-24 22:01:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01965013
Frequency0.6
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESNCC1COC(=O)O1
InChI KeyTXLRZWSSXIZVGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass carbonic acid diesters
Direct Parent carbonic acid diesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • carbonyl compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • meta-dioxolane
  • carbonyl group
  • carbonic acid diester
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound