DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:31 UTC
Update Date	2025-03-21 18:29:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075358
Frequency	39.2
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₀PS
Molecular Mass	427.0199
SMILES	Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)OP(=O)(O)O)C(O)C1O
InChI Key	YRFMXNBTKGSHGI-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	1,2-diols alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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