DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:12 UTC
Update Date	2025-03-25 00:48:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169754
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₉N₆O₁₂P
Molecular Mass	564.1581
SMILES	CC(=O)NC1C(O)C(CO)OC(COP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChI Key	PUXMUBLQHPVPSO-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl ethers dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group ether pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative dialkyl ether pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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