Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:01 UTC
Update Date2025-03-25 00:52:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192144
Frequency0.5
Structure
Chemical FormulaC12H22N2O4
Molecular Mass258.158
SMILESCCCCCCCC(=O)NC(=O)C(N)CC(=O)O
InChI KeyAOLXIDHTPGIASR-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 acid amides
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboximides
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-unsubstituted carboxylic acid imides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • alpha-amino acid amide
  • fatty acid
  • n-acyl-amine
  • carboxylic acid imide
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aspartic acid or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • dicarboximide
  • organic nitrogen compound
  • organooxygen compound