DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:55 UTC
Update Date	2025-03-21 18:06:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062013
Frequency	50.1
Structure
Chemical Formula	C₁₀H₁₄N₅O₁₁PS
Molecular Mass	443.0148
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OS(=O)(=O)O)C(O)C2O)c(=O)[nH]1
InChI Key	ODIATOFYBRYVJB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic sulfuric acids and derivatives organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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