DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:13 UTC
Update Date	2025-03-21 18:38:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120488
Frequency	21.6
Structure
Chemical Formula	C₂₁H₃₁N₆O₁₅P
Molecular Mass	638.1585
SMILES	CC(=O)NC1C(O)CC(OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)O
InChI Key	LXJKIZJUEHVESU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids azacyclic compounds c-glucuronides carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketals monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes primary amines purines and purine derivatives pyran carboxylic acids pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid monosaccharide imidazopyrimidine carboxylic acid derivative pyran carboxylic acid pyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole ketal organonitrogen compound organopnictogen compound oxane imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole c-glucuronide alcohol pyran carboxylic acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester pyran monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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