DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:21 UTC
Update Date	2025-03-25 00:57:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225216
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₇
Molecular Mass	352.1271
SMILES	CC(C(=O)O)N(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	UHHDXWVWCXNBIM-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	alanine and derivatives alpha amino acids amino acids aminobenzamides aniline and substituted anilines benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl tricarboxylic acid or derivatives benzamide organic oxide tertiary aliphatic/aromatic amine alpha-amino acid organonitrogen compound organopnictogen compound 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 alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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