DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:40:11 UTC
Update Date	2025-03-21 17:58:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00015796
Frequency	287.0
Structure
Chemical Formula	C₁₇H₁₉N₇O₅
Molecular Mass	401.1448
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NCC(=O)O)cc1)N2C=O
InChI Key	DCHQUWBOVDSIKZ-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	acyl glycines
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 monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound vinylogous amide pterin azacycle hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group n-acylglycine secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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