DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:51 UTC
Update Date	2025-03-21 18:06:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061865
Frequency	50.3
Structure
Chemical Formula	C₂₄H₂₅N₇O₆
Molecular Mass	507.1866
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)cc1)N2C=O
InChI Key	PBWBQODBDHTDIW-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 alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylalkylamines phenylpropanoic acids primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide pterin tyrosine or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenylalkylamine phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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