Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:57 UTC
Update Date2025-03-25 01:01:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251585
Frequency0.5
Structure
Chemical FormulaC9H13NO7
Molecular Mass247.0692
SMILESO=CCC(NC(CCC(=O)O)C(=O)O)C(=O)O
InChI KeyDXSCWVSRUACQER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent glutamic acid and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • alpha-hydrogen aldehydes
  • amino acids
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • tricarboxylic acids and derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • amino acid
  • aldehyde
  • tricarboxylic acid or derivatives
  • glutamic acid or derivatives
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine