DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 05:13:06 UTC
Update Date	2025-03-24 14:14:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00801507
Frequency	1.9
Structure
Chemical Formula	C₂₆H₃₄F₃N₇O₁₇P₂S₂
Molecular Mass	899.088
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3c(C(=O)O)cc(=O)[nH]c3=O)C(O)C2O)C(O)C1O
InChI Key	SYXAZANPVIRSLA-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	alkyl fluorides alkylarylthioethers amino acids azacyclic compounds carboxylic acids dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside diphosphates pyrimidinecarboxylic acids pyrimidones secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine pyrimidine ribonucleoside diphosphate thioether monoalkyl phosphate hydrocarbon derivative pyrimidine-6-carboxylic acid or derivatives amine pentose phosphate amino acid pyrimidone alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam pyrimidine-6-carboxylic acid azole n-substituted imidazole carbonic acid derivative tetrahydrofuran organofluoride secondary amine 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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