DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:51:38 UTC
Update Date	2025-03-25 00:29:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02042210
Frequency	0.6
Structure
Chemical Formula	C₁₉H₂₉N₇O₂₇P₆
Molecular Mass	972.9537
SMILES	Nc1ncnc2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5ccc(=O)[nH]c5=O)C(O)C4O)C(O)C3O)c12
InChI Key	PMRNXWZWRIWTCK-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside polyphosphates purine 2'-deoxyribonucleoside polyphosphates purine 3'-deoxyribonucleoside polyphosphates purine ribonucleoside polyphosphates purines and purine derivatives pyrimidine ribonucleoside polyphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	purine 2',3'-dideoxyribonucleoside polyphosphate lactam pentose phosphate pyrimidine ribonucleoside polyphosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside polyphosphate purine ribonucleoside polyphosphate 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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