DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:04:28 UTC
Update Date	2025-03-25 01:42:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02489599
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₄N₁₁O₁₇P₃S
Molecular Mass	873.1068
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC(=O)C(N)CCSCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	YMUYTHNPOHUXQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxy-5'-thionucleosides
Direct Parent	5'-deoxy-5'-thionucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	5'-s-alkylthio-5'-deoxyribonucleosides acyl phosphates alpha amino acids azacyclic compounds carbonyl compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfenyl compounds tetrahydrofurans
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid purine ribonucleoside triphosphate organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether 5'-deoxy-5'-thionucleoside heteroaromatic compound thioether monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine acyl phosphate carbonyl group pentose phosphate organosulfur compound carboxylic acid derivative pyrimidine phosphoethanolamine organic oxide 5'-s-alkylthio-5'-deoxyribonucleoside aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran 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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