DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:44 UTC
Update Date	2025-03-21 18:37:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116990
Frequency	31.4
Structure
Chemical Formula	C₁₀H₁₅N₅O₁₂P₂
Molecular Mass	459.0192
SMILES	Nc1nc2[nH]c(=O)n(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c2c(=O)[nH]1
InChI Key	YCSFMHUFRBJMSN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	nucleoside and nucleotide analogues
Direct Parent	nucleoside and nucleotide analogues
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside diphosphates purine 2'-deoxyribonucleoside diphosphates purine 3'-deoxyribonucleoside diphosphates purine nucleosides purine ribonucleoside diphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine purine 2',3'-dideoxyribonucleoside diphosphate purinone pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate 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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