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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:41 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150400
Frequency0.5
Structure
Chemical FormulaC6H7NO5
Molecular Mass173.0324
SMILESO=C(O)C1=NCC(O)(C(=O)O)C1
InChI KeyAAQMENJEOYKKEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrroline carboxylic acids and derivatives
Direct Parent pyrroline carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
  • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • hydroxy acid
  • tertiary alcohol
  • organic oxygen compound
  • pyrroline carboxylic acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound