DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:50 UTC
Update Date	2025-03-21 18:33:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097647
Frequency	28.2
Structure
Chemical Formula	C₁₁H₁₅N₅O₉P₂
Molecular Mass	423.0345
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C2COP(=O)(O)OC21
InChI Key	HOFYKAKROGWZPK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine deoxyribonucleoside 2',5'-bisphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organooxygen compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole purine deoxyribonucleoside 2',5'-bisphosphate azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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