DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:34 UTC
Update Date	2025-03-21 18:29:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075488
Frequency	39.2
Structure
Chemical Formula	C₁₄H₁₄N₆O₆S
Molecular Mass	394.0696
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)OS(=O)(=O)O)cc1)=N2
InChI Key	LPOSXAHBUPRFOB-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 ketimines monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines sulfuric acid monoesters vinylogous amides
Substituents	ketimine monocyclic benzene moiety sulfuric acid monoester amino acid or derivatives imine benzoyl pyrimidone carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin organic sulfuric acid or derivatives azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound sulfuric acid ester amine organooxygen compound

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