Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:54 UTC
Update Date2025-03-21 18:39:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124420
Frequency20.7
Structure
Chemical FormulaC19H27N3O8
Molecular Mass425.1798
SMILESNC(CCc1cc(CCC(N)C(=O)O)c(C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O
InChI KeyMZNQYAXDXBZLHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass tetracarboxylic acids and derivatives
Direct Parent tetracarboxylic acids and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alpha amino acids
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • benzoic acid or derivatives
  • tetracarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • 1-carboxy-2-haloaromatic compound
  • organic nitrogen compound
  • benzoic acid
  • organooxygen compound