DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:49:18 UTC
Update Date	2025-03-25 01:35:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02453980
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₉Cl₂F₃N₆O₁₇P₄S₂
Molecular Mass	927.931
SMILES	NC(CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O)C(=O)O
InChI Key	HZISJTQAIWTATI-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 alkyl chlorides alkyl fluorides alkylarylthioethers alpha amino acids amino acids azacyclic compounds bisphosphonates carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organochlorides organofluorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine aryl thioether saccharide organonitrogen compound alpha-amino acid organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound secondary aliphatic/aromatic amine thioether monoalkyl phosphate cysteine or derivatives hydrocarbon derivative primary aliphatic amine amine 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 imidolactam azole n-substituted imidazole bisphosphonate 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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