DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:37 UTC
Update Date	2025-03-25 00:54:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207216
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₀N₈O₇
Molecular Mass	484.1455
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
InChI Key	DIUGCMWIJFVBQE-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 benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrazines pyrimidones secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl pyrimidone pteridine pyrimidine organic oxide aromatic heteropolycyclic compound n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound vinylogous amide pterin carbonic acid derivative azacycle n-carbamoyl-alpha-amino acid heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine secondary aliphatic/aromatic amine organic oxygen compound pyrazine dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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