DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:27 UTC
Update Date	2025-03-21 18:40:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130535
Frequency	19.4
Structure
Chemical Formula	C₁₂H₁₈N₅O₁₄P₃
Molecular Mass	549.0063
SMILES	CC(=O)Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	DXKBKGPPHHRHCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
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 organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group n-acetylarylamine pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate n-arylamide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound acetamide azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group 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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