DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:20 UTC
Update Date	2025-03-21 18:37:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115997
Frequency	22.7
Structure
Chemical Formula	C₂₁H₃₆F₃N₆O₁₀P₂S₂+
Molecular Mass	715.1356
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC[N+](C)(C)C)C(O)C1O
InChI Key	ZCVLITQPZFSKAP-UHFFFAOYSA-O
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 dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organic pyrophosphates organic salts organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates phosphocholines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetraalkylammonium salts tetrahydrofurans
Substituents	purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound organic salt organoheterocyclic compound 1,2-diol alcohol sulfenyl compound tetraalkylammonium salt azacycle alkyl fluoride dialkylthioether heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine thioether monoalkyl phosphate hydrocarbon derivative amine pentose phosphate alkylarylthioether organosulfur compound organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide organic cation imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride quaternary ammonium salt secondary amine phosphocholine oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

Showing information for DMID00115997