DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:29 UTC
Update Date	2025-03-25 00:53:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202341
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₉N₅O₁₄P₂S
Molecular Mass	633.0907
SMILES	CSCCNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C2O)C(O)C1O
InChI Key	VGMINDHYRTXOLQ-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	azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound secondary amine organic pyrophosphate secondary aliphatic/aromatic amine oxacycle 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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