DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:51:02 UTC
Update Date	2025-03-25 01:12:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02318352
Frequency	0.5
Structure
Chemical Formula	C₃₅H₅₂F₃N₇O₁₄P₂S₃
Molecular Mass	1009.2162
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(NCCSC)nc(SCCC(F)(F)F)nc32)C(O)C1O
InChI Key	HSMFEROTFOAKBM-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	1,2-diols alkyl fluorides alkylarylthioethers azacyclic compounds beta amino acids and derivatives carbothioic s-esters carboxylic acids and derivatives dialkylthioethers fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketones monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether carbothioic s-ester ketone saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle thiocarboxylic acid ester alkyl fluoride dialkylthioether heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative amine fatty acyl carbonyl group pentose phosphate fatty amide alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran organofluoride secondary amine carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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