DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:00 UTC
Update Date	2025-03-25 00:51:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185316
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆N₈O₆S
Molecular Mass	388.0914
SMILES	NC(=NS(N)(=O)=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	NVQBPDHNANNWCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic sulfuric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	guanidine monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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