DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:57 UTC
Update Date	2025-03-21 18:04:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052659
Frequency	61.7
Structure
Chemical Formula	C₁₉H₂₅N₃O₆
Molecular Mass	391.1743
SMILES	CC(=O)N1CCCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	WBAAXYNKYJBXTF-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	acetamides alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid n-acylpyrrolidine benzoyl benzamide organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives azacycle 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 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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