DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:15 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160732
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₈N₈O₄
Molecular Mass	386.1451
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NCC(=O)O)cc3)CN1CN2
InChI Key	YKOVUTHDSRIANK-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	1,2,4-triazines alkylhydrazines alpha amino acids amino acids aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides triazolidines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid benzoyl pyrimidone benzamide pyrimidine alkylhydrazine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam organoheterocyclic compound vinylogous amide hydrazine derivative azacycle hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group n-acylglycine secondary aliphatic/aromatic amine triazolidine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound triazine hydrocarbon derivative benzenoid primary amine organic nitrogen compound 1,2,4-triazine amine organooxygen compound

Showing information for DMID02160732