DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:43 UTC
Update Date	2025-03-25 00:56:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216833
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₉N₃O₉
Molecular Mass	433.1121
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCc2cc(C(=O)O)[nH]c2C(=O)O)cc1)C(=O)O
InChI Key	QXSNNVBTAHXNCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines pyrrole 2-carboxylic acids pyrrole carboxylic acids and derivatives secondary alkylarylamines secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide pyrrole-2-carboxylic acid pyrrole-2-carboxylic acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives tetracarboxylic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound pyrrole phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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