DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:20 UTC
Update Date	2025-03-25 00:59:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236341
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₅O₇PS
Molecular Mass	391.0352
SMILES	CSc1nc2c(=O)[nH]c(N)nc2n1C1OC(CO)C2OP(=O)(O)OC21
InChI Key	JEKBBMBUXOAYBA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	cyclic purine nucleotides
Direct Parent	2',3'-cyclic purine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkylarylthioethers azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone imidazopyrimidine alkylarylthioether organosulfur compound aryl thioether pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane oxacycle organic oxygen compound thioether hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound 2',3'-cyclic purine ribonucleotide

Showing information for DMID02236341