DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:29:55 UTC
Update Date	2025-03-21 20:57:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00413925
Frequency	4.4
Structure
Chemical Formula	C₂₄H₃₈F₃N₆O₁₈P₃S₂
Molecular Mass	912.0849
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2NC(C)=O)C(O)C1O
InChI Key	LPTVBZKQKPXEGI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alkyl fluorides alkylarylthioethers amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organofluorides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether organonitrogen compound oxane purine ribonucleoside triphosphate organoheterocyclic compound acetamide alcohol sulfenyl compound azacycle 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 n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride secondary amine carboxamide group oxacycle phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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