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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:48 UTC
Update Date2025-03-25 01:00:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241970
Frequency0.5
Structure
Chemical FormulaC9H16N2O4
Molecular Mass216.111
SMILESCC(C)CC1NC(C(O)C(=O)O)N=C1O
InChI KeyUZOBLUBEPDFQHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass alpha hydroxy acids and derivatives
Direct Parent alpha hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • dialkylamines
  • hydrocarbon derivatives
  • imidazolines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • imidazoline
  • secondary alcohol
  • 3-imidazoline
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organooxygen compound
  • amine