DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:49 UTC
Update Date	2025-03-25 00:51:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02187248
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₁N₆O₁₁PS
Molecular Mass	560.0727
SMILES	CC(=O)Nc1ccc(OS(=O)(=O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)cc1
InChI Key	DNRBMTSIZOGNTJ-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	1,2-diols acetamides acetanilides amino acids and derivatives arylsulfates azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acetylarylamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phenoxy compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety n-acetylarylamine amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organoheterocyclic compound acetamide 1,2-diol alcohol azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine phenoxy compound amine carbonyl group pentose phosphate n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound arylsulfate imidolactam azole n-substituted imidazole organic sulfuric acid or derivatives acetanilide tetrahydrofuran carboxamide group anilide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol benzenoid purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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