DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 02:26:52 UTC
Update Date	2025-03-21 20:55:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00406536
Frequency	4.5
Structure
Chemical Formula	C₃₀H₅₀N₇O₁₆P₃S
Molecular Mass	889.2248
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(O)O[PH](=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	OPGDQGGKCLINFK-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 carbonyl compounds carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic phosphoric acids and derivatives 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	fatty acyl carbonyl group amino acid or derivatives fatty amide monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine carbothioic s-ester saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam fatty acyl thioester thiolactone organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol thiocarboxylic acid or derivatives sulfenyl compound azacycle tetrahydrofuran thiocarboxylic acid ester heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide purine 3'-deoxyribonucleoside organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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