DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:54:03 UTC
Update Date	2025-03-21 18:04:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00048249
Frequency	68.8
Structure
Chemical Formula	C₂₄H₂₇N₇O₁₀
Molecular Mass	573.1819
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1C1OC(CO)C(O)C1O
InChI Key	XQQGUGMREKSIQE-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines primary alcohols primary amines pterins and derivatives pyrazines pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid benzoyl monosaccharide pteridine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol vinylogous amide pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound glutamic acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group amino acid pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organopnictogen compound primary alcohol tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group oxacycle organic oxygen compound pyrazine secondary alcohol phenylalkylamine benzenoid organic nitrogen compound organooxygen compound

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