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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:58:08 UTC
Update Date2025-03-21 22:02:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00480667
Frequency3.6
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESNC1C=NCC1C(=O)O
InChI KeyJJPXDKNJULTSEF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroline carboxylic acids
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • imine
  • pyrroline carboxylic acid or derivatives
  • organic 1,3-dipolar compound
  • beta amino acid or derivatives
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • pyrroline
  • organic oxygen compound
  • pyrroline carboxylic acid
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound