DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:12 UTC
Update Date	2025-03-21 18:40:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129904
Frequency	19.6
Structure
Chemical Formula	C₁₂H₁₈N₅O₆P
Molecular Mass	359.0995
SMILES	CC1C(O)C(O)C(n2cnc3c(N)ncnc32)C1COP(=O)(O)O
InChI Key	MJTDLYIQXKTOTH-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 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 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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