DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:04 UTC
Update Date	2025-03-21 18:33:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00098255
Frequency	41.0
Structure
Chemical Formula	C₂₀H₂₅N₉O₁₃P₂
Molecular Mass	661.1047
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]cnc43)CC2O)C(O)C1O
InChI Key	LIBAJWIXTBZQLM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 2'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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