DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:10:41 UTC
Update Date	2025-03-24 14:13:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00795877
Frequency	1.9
Structure
Chemical Formula	C₂₈H₃₉F₃N₇O₁₄P₂S₂+
Molecular Mass	880.1418
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(N)=O)c3)C(O)C2O)C1O
InChI Key	HPBGCHQBSPYMNL-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyridine nucleotides
Subclass	pyridine nucleotides
Direct Parent	pyridine nucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides alkyl fluorides alkylarylthioethers amino acids and derivatives azacyclic compounds carboxylic acids and derivatives cyclitols and derivatives cyclopentanols cyclopentyl nucleosides dialkylthioethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams methylpyridines monoalkyl phosphates monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine nucleosides purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide organonitrogen compound organoheterocyclic compound cyclopentyl nucleoside pyridine nucleotide alcohol vinylogous amide sulfenyl compound azacycle purine nucleoside alkyl fluoride dialkylthioether heteroaromatic compound cyclitol or derivatives organic pyrophosphate secondary aliphatic/aromatic amine pyridine thioether monoalkyl phosphate hydrocarbon derivative amine primary carboxylic acid amide pentose phosphate alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide organic cation imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride hydroxypyridine methylpyridine cyclic alcohol secondary amine carboxamide group cyclopentanol oxacycle 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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