DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:06 UTC
Update Date	2025-03-21 18:05:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057675
Frequency	55.0
Structure
Chemical Formula	C₁₄H₁₂N₆O₆S
Molecular Mass	392.0539
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)OS(=O)(=O)O)cc3)cnc2[nH]1
InChI Key	UAJCMUFOAQJPED-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 azacyclic compounds benzoic acids and derivatives benzoyl derivatives heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines pyrazines pyrimidones secondary alkylarylamines sulfuric acid monoesters vinylogous amides
Substituents	monocyclic benzene moiety sulfuric acid monoester amino acid or derivatives benzoyl pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin organic sulfuric acid or derivatives azacycle heteroaromatic compound benzoic acid or derivatives secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound sulfuric acid ester amine organooxygen compound

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