DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:57 UTC
Update Date	2025-03-25 00:47:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162307
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₀N₂O₉
Molecular Mass	408.1169
SMILES	O=C(O)CCC(NC(=O)c1ccc(N2CC(C(=O)O)CC2C(=O)O)cc1)C(=O)O
InChI Key	KATBGKWBUXZORQ-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 aminobenzamides aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpyrrolidines proline and derivatives pyrroles pyrrolidine carboxylic acids secondary carboxylic acid amides tetracarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 1-phenylpyrrolidine aromatic heteromonocyclic compound amino acid benzoyl benzamide organic oxide tertiary aliphatic/aromatic amine pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound dialkylarylamine pyrrolidine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives tetracarboxylic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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