DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:13 UTC
Update Date	2025-03-25 00:55:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213450
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉ClN₂O₅
Molecular Mass	342.0982
SMILES	CN(CCCl)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	BNEOZLPMCPTKFR-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 homomonocyclic compounds
Alternative Parents	alkyl chlorides alpha amino acids amino acids aminobenzamides aniline and substituted anilines benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organochlorides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid alkyl chloride organochloride benzoyl organohalogen compound benzamide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound alkyl halide dialkylarylamine aminobenzoic acid or derivatives tertiary amine n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives glutamic acid or derivatives carboxamide group aminobenzamide aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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