DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:15 UTC
Update Date	2025-03-25 00:57:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224979
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₅N₇O₆
Molecular Mass	507.1866
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(Cc4ccc(O)c(O)c4)C(=O)O)cc3)CC1CN2
InChI Key	IBHVNBPTKSRCCD-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	tyrosine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids amphetamines and derivatives aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazopyrazines imidolactams lactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylimidazolidines phenylpropanoic acids primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety lactam carboxylic acid phenylimidazolidine imidazopyrazine benzoyl organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin tyrosine or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary aliphatic/aromatic amine secondary carboxylic acid amide phenol hydrocarbon derivative primary amine amine carbonyl group 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organopnictogen compound dialkylarylamine imidolactam amphetamine or derivatives hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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