DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:47 UTC
Update Date	2025-03-21 18:33:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097558
Frequency	28.3
Structure
Chemical Formula	C₁₅H₁₆N₆O₇S
Molecular Mass	424.0801
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)OS(=O)(=O)O)cc1)N2C=O
InChI Key	IEOVAYAYLHQEDX-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 carbonyl compounds heteroaromatic compounds hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pyrimidones secondary alkylarylamines sulfuric acid monoesters tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety sulfuric acid monoester carbonyl group amino acid or derivatives benzoyl pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound organopnictogen compound vinylogous amide pterin organic sulfuric acid or derivatives azacycle heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group 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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