DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:59 UTC
Update Date	2025-03-25 00:46:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155815
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₃N₁₀O₁₉P₃S₂
Molecular Mass	910.0578
SMILES	CSCCNc1nc(S(=O)(=O)O)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	PBEOJBIMFJGLRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	arylsulfonic acids and derivatives azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds organosulfonic acids oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds sulfonyls tetrahydrofurans
Substituents	organosulfonic acid or derivatives pentose phosphate purine ribonucleoside monophosphate organosulfonic acid monosaccharide pentose-5-phosphate imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound secondary amine secondary aliphatic/aromatic amine oxacycle sulfonyl organic oxygen compound arylsulfonic acid or derivatives phosphoric acid ester organic sulfonic acid or derivatives thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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