DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:04 UTC
Update Date	2025-03-21 18:41:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134194
Frequency	18.8
Structure
Chemical Formula	C₂₄H₂₆N₈O₉
Molecular Mass	570.1823
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1
InChI Key	SDUHYPXROSSGGK-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives glutamine and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrazines pyrimidones secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide benzoyl pyrimidone tricarboxylic acid or derivatives alpha-amino acid or derivatives pteridine benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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