Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:51 UTC
Update Date2025-03-25 00:48:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171237
Frequency0.5
Structure
Chemical FormulaC8H11NO7
Molecular Mass233.0536
SMILESCC(=O)NC(CC(=O)O)OC(=O)CC(=O)O
InChI KeyFJGSBSRRZDJVLR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tricarboxylic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • tricarboxylic acid or derivatives
  • carboxamide group
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound