DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:50 UTC
Update Date	2025-03-25 00:54:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207740
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₆O₇S
Molecular Mass	376.0801
SMILES	Nc1ncnc2c1ncn2C1OC(C(O)CO)C(NS(=O)(=O)O)C1O
InChI Key	UIHGNZZWEBCZQA-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoamides tetrahydrofurans
Substituents	monosaccharide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound sulfuric acid monoamide secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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