DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:16 UTC
Update Date	2025-03-25 00:49:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172183
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₄ClN₃O₅
Molecular Mass	445.1404
SMILES	CN1c2ccc(Cl)cc2CC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	WFGPIEHCFZGXEX-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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aryl chlorides azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives indoles n-acyl-alpha amino acids organic oxides organochlorides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid indole organochloride benzoyl organohalogen compound benzamide organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives aryl chloride azacycle n-acyl-alpha-amino acid hippuric acid or derivatives indole or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aryl halide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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