Hmdb loader

Showing information for DMID00053207

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:11 UTC
Update Date2025-03-21 18:04:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00053207
Frequency60.9
Structure
Chemical FormulaC9H13NO5
Molecular Mass215.0794
SMILESCC=C(C)C(=O)NC(CC(=O)O)C(=O)O
InChI KeyQMZKHPGOORGPCS-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
  • branched fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • hydrocarbon derivatives
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • n-acyl-alpha-amino acid
  • carboxamide group
  • branched fatty acid
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • n-acyl-alpha amino acid or derivatives