Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:50 UTC
Update Date2025-03-25 00:48:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168908
Frequency0.5
Structure
Chemical FormulaC7H11NO4
Molecular Mass173.0688
SMILESCC(C)CC(=O)NC(=O)C(=O)O
InChI KeyYKYPVSNXTKDIDP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • dicarboximides
  • hydrocarbon derivatives
  • 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
  • n-acyl-alpha-amino acid
  • n-acyl-amine
  • carboxylic acid imide
  • carboxylic acid imide, n-unsubstituted
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • dicarboximide
  • organic nitrogen compound
  • organooxygen compound