DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:35 UTC
Update Date	2025-03-25 00:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239125
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₈O₄S
Molecular Mass	406.1172
SMILES	NC(=O)c1cc(S(N)(=O)=O)ccc1N1CC2CNc3nc(N)[nH]c(=O)c3N2C1
InChI Key	ABEKTESGDKPXDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives aminosulfonyl compounds aniline and substituted anilines azacyclic compounds benzamides benzenesulfonamides benzenesulfonyl compounds benzoyl derivatives carboxylic acids and derivatives dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams organic oxides organooxygen compounds organopnictogen compounds organosulfonamides phenylimidazolidines primary amines primary carboxylic acid amides pyrimidones secondary alkylarylamines vinylogous amides
Substituents	imidazolidine primary carboxylic acid amide organosulfonic acid or derivatives monocyclic benzene moiety lactam phenylimidazolidine imidazopyrazine amino acid or derivatives benzoyl pyrimidone organosulfur compound carboxylic acid derivative benzamide pyrimidine organosulfonic acid amide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine imidolactam benzenesulfonyl group vinylogous amide pterin benzenesulfonamide azacycle aminosulfonyl compound aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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