DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:12 UTC
Update Date	2025-03-25 01:01:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252147
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₄O₇
Molecular Mass	436.1958
SMILES	NCCC(=O)N1CC(O)CC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	TVWHUHNHCWWZQB-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	alpha amino acids amino acids azacyclic compounds benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalkylamines secondary alcohols 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 n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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