DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:38 UTC
Update Date	2025-03-25 00:48:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170747
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₆N₈O₅
Molecular Mass	458.2026
SMILES	CC(=O)NC(CNC(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2C)cc1)C(=O)O
InChI Key	XAZDWBXVBHWEAH-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alpha amino acids amino acids azacyclic compounds benzamides benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid benzoyl pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam tertiary amine organoheterocyclic compound acetamide vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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