DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:43 UTC
Update Date	2025-03-21 18:39:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126367
Frequency	20.3
Structure
Chemical Formula	C₁₆H₁₇N₇O₅S
Molecular Mass	419.1012
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NCCS(=O)(=O)O)cc3)cnc2[nH]1
InChI Key	SYDMFCGLZBBJPT-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 benzamides benzoyl derivatives carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfonic acids phenylalkylamines primary amines pyrazines pyrimidones secondary alkylarylamines secondary carboxylic acid amides sulfonyls vinylogous amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety amino acid or derivatives organosulfonic acid benzoyl pyrimidone organosulfur compound carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide sulfonyl organic oxygen compound organic sulfonic acid or derivatives pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID00126367