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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:20:36 UTC
Update Date2025-03-21 19:11:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00252201
Frequency8.3
Structure
Chemical FormulaC4H7NO3
Molecular Mass117.0426
SMILESNCC(O)C(O)=C=O
InChI KeyQDAPMWIKUYCWHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • ynolate
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound