DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:35 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184358
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₆N₄O₅
Molecular Mass	426.1903
SMILES	NC(Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(C(=O)NCC(=O)O)cc2)CC1
InChI Key	WSYJUKCAKGGWSA-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	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids aminobenzamides amphetamines and derivatives aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid benzamide organic oxide piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound amphetamine or derivatives alpha-amino acid amide azacycle hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives carboxamide group aminobenzamide n-acylglycine phenylpiperazine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine n-arylpiperazine organooxygen compound

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