DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:21 UTC
Update Date	2025-03-25 00:50:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179317
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₅O₆PS
Molecular Mass	419.1028
SMILES	CSCCNc1ncnc2c1ncn2C1CC(COP(=O)(O)O)C(O)C1O
InChI Key	LJKAXHZQINDIBD-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 1,3-substituted cyclopentyl purine nucleosides azacyclic compounds cyclic alcohols and derivatives cyclopentanols cyclopentyl nucleosides dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organopnictogen compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines sulfenyl compounds
Substituents	imidazopyrimidine organosulfur compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole cyclopentyl nucleoside alcohol sulfenyl compound azacycle purine nucleoside dialkylthioether heteroaromatic compound cyclic alcohol secondary amine secondary aliphatic/aromatic amine cyclopentanol 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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