DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:05 UTC
Update Date	2025-03-25 00:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02224638
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₅N₅O₁₂P₂S
Molecular Mass	490.9913
SMILES	NS(=O)(=O)c1ncc2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c2n1
InChI Key	JICRRDUHBQXMGZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols aminosulfonyl compounds azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds organosulfonamides oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	organosulfonic acid or derivatives pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine organosulfur compound pyrimidine organosulfonic acid amide saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle aminosulfonyl compound tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle sulfonyl organic oxygen compound phosphoric acid ester organic sulfonic acid or derivatives monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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