DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:26 UTC
Update Date	2025-03-21 18:06:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065557
Frequency	46.7
Structure
Chemical Formula	C₁₉H₃₀N₆O₁₅P₂
Molecular Mass	644.1244
SMILES	CC(=O)NC1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	IUESFOPHSFEZHR-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	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclitols and derivatives cyclohexanols heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclohexanol cyclitol or derivatives cyclic alcohol carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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