DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:46:21 UTC
Update Date	2025-03-25 01:10:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02307278
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₄N₇O₁₈P₃S
Molecular Mass	891.1676
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(=O)COP(=O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1CP(=O)(O)O
InChI Key	CMPBVNWYYQAQDM-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	1,3-dicarbonyl compounds acyloins alpha-hydroxy ketones azacyclic compounds beta amino acids and derivatives carbothioic s-esters carboxylic acids and derivatives fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans thioesters thiolactones vinylogous amides
Substituents	lactam amino acid or derivatives monosaccharide imidazopyrimidine alpha-hydroxy ketone carbothioic s-ester ketone saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle thiocarboxylic acid ester heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine 1,3-dicarbonyl compound amine fatty acyl carbonyl group fatty amide pyrimidone organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound 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 acyloin secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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