DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:28 UTC
Update Date	2025-03-21 18:31:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087182
Frequency	32.6
Structure
Chemical Formula	C₁₀H₁₅N₅O₁₀P₂
Molecular Mass	427.0294
SMILES	Nc1nc2c(ncn2C2CC(OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)[nH]1
InChI Key	HLOADLNVPDIIIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine deoxyribonucleoside 3',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates tetrahydrofurans vinylogous amides
Substituents	lactam pyrimidone imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine deoxyribonucleoside 3',5'-bisphosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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