DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:54:19 UTC
Update Date	2025-03-24 21:23:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01764269
Frequency	0.7
Structure
Chemical Formula	C₂₉H₄₀F₃N₈O₁₆P₂S+
Molecular Mass	907.1705
SMILES	NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(NCCCC(N)C(=O)O)nc(SCCC(F)(F)F)nc54)C(O)C3O)C(O)C2O)c1
InChI Key	IFSHCIKJKLTCHU-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	alkyl fluorides alkylarylthioethers alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles nicotinamides organic cations organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	pyridine carboxylic acid or derivatives carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound alpha-amino acid organoheterocyclic compound pyridine nucleotide alcohol vinylogous amide sulfenyl compound azacycle alkyl fluoride heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine pyridine thioether monoalkyl phosphate hydrocarbon derivative primary aliphatic amine amine primary carboxylic acid amide carbonyl group pentose phosphate amino acid 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 secondary amine carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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