DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:41 UTC
Update Date	2025-03-21 18:01:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00035366
Frequency	100.9
Structure
Chemical Formula	C₂₃H₂₃N₇O₅
Molecular Mass	477.1761
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(Cc3ccc(O)cc3)C(=O)O)cc1)=N2
InChI Key	HNZRMVVRUMBXJI-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 ketimines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylalkylamines phenylpropanoic acids primary amines propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid benzoyl pteridine 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 organic 1,3-dipolar compound secondary aliphatic/aromatic amine secondary carboxylic acid amide phenol hydrocarbon derivative primary amine amine ketimine carbonyl group 3-phenylpropanoic-acid amino acid imine 1-hydroxy-2-unsubstituted benzenoid pyrimidone benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organopnictogen compound amphetamine or derivatives hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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