DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:57 UTC
Update Date	2025-03-25 00:49:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171467
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₁N₇O₅S
Molecular Mass	423.1325
SMILES	CN(C)S(=O)(=O)c1ccc(NCC2CNc3nc(N)[nH]c(=O)c3N2)c(C(=O)O)c1
InChI Key	XPJDZNCWNRUDDW-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	1-carboxy-2-haloaromatic compounds amino acids aminosulfonyl compounds azacyclic compounds benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfonamides phenylalkylamines primary amines pyrimidones secondary alkylarylamines vinylogous amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety lactam carboxylic acid amino acid or derivatives amino acid benzoyl pyrimidone organosulfur compound carboxylic acid derivative pyrimidine organosulfonic acid amide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid imidolactam benzenesulfonyl group vinylogous amide pterin benzenesulfonamide azacycle aminosulfonyl compound heteroaromatic compound benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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