DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:41 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223766
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₈O₁₃P₂
Molecular Mass	636.1095
SMILES	NC(=O)c1cn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(O)C2O)cn1
InChI Key	BOZFMPRLMVBSKY-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	1-ribosyl-imidazolecarboxamides 2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group imidazole ribonucleoside pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidazole-4-carbonyl group imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound purine 2'-deoxyribonucleoside diphosphate carboxamide group organic pyrophosphate 1-ribosyl-imidazolecarboxamide oxacycle 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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