DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:12 UTC
Update Date	2025-03-21 18:31:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00086570
Frequency	32.9
Structure
Chemical Formula	C₁₆H₂₂N₅O₁₃P
Molecular Mass	523.0952
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O
InChI Key	MBGMTJDLJLLAMC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkyl phosphates glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group carboxylic acid glucuronic acid or derivatives pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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