DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:07 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185585
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₅O₅S₂
Molecular Mass	347.0358
SMILES	Nc1ncnc2c1ncn2C1CSC(COS(=O)(=O)O)C1O
InChI Key	MLEKZDZRBVSGAL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	purines and purine derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl sulfates azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organopnictogen compounds primary amines pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoesters thiolanes
Substituents	thiolane sulfuric acid monoester pyrimidine organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidolactam azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle dialkylthioether heteroaromatic compound organic oxygen compound thioether secondary alcohol sulfate-ester hydrocarbon derivative primary amine purine organic nitrogen compound sulfuric acid ester amine organooxygen compound

Showing information for DMID02185585