DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:03:36 UTC
Update Date	2025-03-24 20:35:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01498142
Frequency	0.9
Structure
Chemical Formula	C₃₀H₄₇N₇O₁₉P₄S
Molecular Mass	965.1598
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)O[PH](=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	QIRDOFSFZPIWKH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 3'-deoxyribonucleosides
Direct Parent	purine 3'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketones monoalkyl phosphates n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones
Substituents	amino acid or derivatives imidazopyrimidine carbothioic s-ester ketone organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl carbonyl group fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam fatty acyl thioester thiolactone azole n-substituted imidazole thiocarboxylic acid or derivatives tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle purine 3'-deoxyribonucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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