DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:44:49 UTC
Update Date	2025-03-25 01:10:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02303738
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₅F₃N₇O₁₅P₃S₃
Molecular Mass	989.1301
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)P(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(NCCSC)nc(SCCC(F)(F)F)nc32)C(O)C1O
InChI Key	CCNLSZKDRFXBIK-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 fluorides alkylarylthioethers azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives dialkylthioethers fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic phosphonic acids and derivatives organofluorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates 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 saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle thiocarboxylic acid ester alkyl fluoride dialkylthioether heteroaromatic compound secondary aliphatic/aromatic amine secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative amine carbonyl group pentose phosphate 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 carbonic acid derivative tetrahydrofuran organofluoride secondary amine carboxamide group 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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