Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:48 UTC
Update Date2025-03-25 00:46:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157578
Frequency0.5
Structure
Chemical FormulaC10H12N2O5
Molecular Mass240.0746
SMILESO=C(O)CCNC(=O)Cn1cccc1C(=O)O
InChI KeyPEKVNZIOUQXHCZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid peptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • beta amino acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrole 2-carboxylic acids
  • pyrrole carboxylic acids and derivatives
  • secondary carboxylic acid amides
  • substituted pyrroles
  • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • carboxamide group
  • carboxylic acid derivative
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • organic oxide
  • pyrrole-2-carboxylic acid
  • organic oxygen compound
  • pyrrole-2-carboxylic acid or derivatives
  • pyrrole
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • hybrid peptide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound