DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:27 UTC
Update Date	2025-03-25 01:01:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248148
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉N₃O₈
Molecular Mass	381.1172
SMILES	NC(=O)CC(Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)O
InChI Key	RGSLIBFHAMILEH-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	alpha amino acids amino acids asparagine and derivatives benzoyl derivatives carbonyl compounds carboxylic acids fatty amides hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary carboxylic acid amides secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide benzoyl tricarboxylic acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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