DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:29 UTC
Update Date	2025-03-25 01:01:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248200
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₅N₅O₄
Molecular Mass	423.1907
SMILES	NC(=O)CCC(NC(=O)c1ccc(N2CC3CNc4ccccc4N3C2)cc1)C(=O)O
InChI Key	DIQZIQGNXHSNMU-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	glutamine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines fatty amides hippuric acids and derivatives hydrocarbon derivatives imidazopyrazines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary carboxylic acid amides secondary alkylarylamines secondary carboxylic acid amides
Substituents	imidazolidine primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid phenylimidazolidine glutamine or derivatives imidazopyrazine amino acid fatty amide benzoyl benzamide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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