DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:18 UTC
Update Date	2025-03-25 00:53:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199673
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₂N₆O₇
Molecular Mass	458.155
SMILES	Cn1c(=O)[nH]c2c1nc(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)c(=O)n2C
InChI Key	IXSHMSQHVWSJCE-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 imidazoles imidazopyrazines lactams n-acyl-alpha amino acids n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines pyrazines secondary alkylarylamines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid imidazopyrazine amino acid benzoyl benzamide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives carbonic acid derivative 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 dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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