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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:04 UTC
Update Date2025-03-25 00:47:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164888
Frequency0.5
Structure
Chemical FormulaC8H14N2O5
Molecular Mass218.0903
SMILESCC(O)CC(N)=NC(CC(=O)O)C(=O)O
InChI KeyILTFCYQICZCNJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent aspartic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydroxy fatty acid
  • alcohol
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic oxygen compound
  • aspartic acid or derivatives
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound