DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:50 UTC
Update Date	2025-03-21 18:40:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00129063
Frequency	19.7
Structure
Chemical Formula	C₁₁H₁₅N₅O₁₁P₂
Molecular Mass	455.0243
SMILES	O=CNc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O
InChI Key	QONDSXQNBXRINJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylamides n-substituted imidazoles organic oxides organic pyrophosphates 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 pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate n-arylamide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group 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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