DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:53:21 UTC
Update Date	2025-03-25 01:37:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02463224
Frequency	0.5
Structure
Chemical Formula	C₄₁H₆₃N₉O₁₇P₂S
Molecular Mass	1047.3538
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[PH](O)(OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C1O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	XAYSCNVTLYWLGA-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 dihydropyridines enamines fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl amines n-substituted imidazoles n-substituted nicotinamides organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide imidazopyrimidine carbothioic s-ester saccharide organonitrogen compound organophosphorus compound dihydropyridine organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide hydrocarbon derivative primary amine amine enamine primary carboxylic acid amide 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 n-substituted nicotinamide oxacycle purine 3'-deoxyribonucleoside organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

Showing information for DMID02463224