DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:43 UTC
Update Date	2025-03-25 00:48:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166423
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₅O₁₁P₂
Molecular Mass	469.04
SMILES	CC(=O)Nc1ncnc2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c12
InChI Key	XJSNEEGQTYBGPI-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 acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates purine 2',3'-dideoxyribonucleoside diphosphates purine 2'-deoxyribonucleoside diphosphates purine 3'-deoxyribonucleoside diphosphates purine nucleosides purine ribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group n-acetylarylamine pentose phosphate monosaccharide pentose-5-phosphate n-arylamide imidazopyrimidine carboxylic acid derivative purine 2',3'-dideoxyribonucleoside diphosphate pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate carboxamide group purine 2'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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