DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:55 UTC
Update Date	2025-03-25 00:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185126
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₁N₅O₆
Molecular Mass	497.2274
SMILES	NC(=O)CCC(NC(=O)c1ccc(N2CCN(C(=O)C(N)Cc3ccc(O)cc3)CC2)cc1)C(=O)O
InChI Key	MCUBBFOBEXKYQU-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 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 fatty amides hippuric acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-arylpiperazines organic oxides organopnictogen compounds phenylpiperazines primary carboxylic acid amides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	monocyclic benzene moiety carboxylic acid glutamine or derivatives benzoyl organonitrogen compound alpha-amino acid aminobenzoic acid or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid phenylpiperazine secondary carboxylic acid amide phenol hydrocarbon derivative primary aliphatic amine amine primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid fatty amide 1-hydroxy-2-unsubstituted benzenoid benzamide organic oxide piperazine tertiary aliphatic/aromatic amine tertiary carboxylic acid amide organopnictogen compound dialkylarylamine tertiary amine amphetamine or derivatives hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives carboxamide group aminobenzamide monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane benzenoid organic nitrogen compound n-arylpiperazine organooxygen compound

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