DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:36 UTC
Update Date	2025-03-21 18:38:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121398
Frequency	21.3
Structure
Chemical Formula	C₁₁H₁₇N₅O₉P₂
Molecular Mass	425.0502
SMILES	Nc1ncnc2c1ncn2C1CC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	UKTKGUIGSGFJDL-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 heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives
Substituents	imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole cyclopentyl nucleoside alcohol azacycle purine nucleoside heteroaromatic compound cyclic alcohol organic pyrophosphate cyclopentanol 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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