DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:10 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185700
Frequency	0.5
Structure
Chemical Formula	C₂₅H₃₀N₈O₈
Molecular Mass	570.2187
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c(CCCCC(N)C(=O)O)nc2[nH]1
InChI Key	DBFLHJCBYCDXAJ-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 heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines pterins and derivatives pyrazines pyrimidones secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl pyrimidone tricarboxylic 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 secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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