DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:49:23 UTC
Update Date	2025-03-25 00:25:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01321736
Frequency	1.0
Structure
Chemical Formula	C₂₁H₃₂N₁₀O₂₄P₆
Molecular Mass	994.0017
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(O)OP(=O)(O)OP(=O)(O)OCC2C(O)C(O)C(n3cnc4c(N)ncnc43)C2O)C(O)C1O
InChI Key	ROTSTSKOEUXQCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	cyclopentyl nucleosides
Direct Parent	1,3-substituted cyclopentyl purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds cyclitols and derivatives cyclopentanols cyclopentyl nucleosides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphites organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine nucleosides purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound purine ribonucleoside triphosphate azole n-substituted imidazole alcohol organic phosphite azacycle tetrahydrofuran purine nucleoside heteroaromatic compound cyclitol or derivatives cyclic alcohol organic pyrophosphate cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester 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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