DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:25 UTC
Update Date	2025-03-25 00:56:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216132
Frequency	0.5
Structure
Chemical Formula	C₂₈H₄₃N₇O₁₄P₂S
Molecular Mass	795.2064
SMILES	CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1CC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	XVHYGQDQVHVHRD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides azacyclic compounds beta amino acids and derivatives carbonyl compounds carbothioic s-esters carboxylic acids and derivatives cyclic alcohols and derivatives cyclopentanols cyclopentyl nucleosides fatty acyl thioesters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	amino acid or derivatives monosaccharide imidazopyrimidine carbothioic s-ester saccharide organonitrogen compound organoheterocyclic compound cyclopentyl nucleoside alcohol sulfenyl compound azacycle purine nucleoside 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 cyclic alcohol carboxamide group n-acyl-amine beta amino acid or derivatives cyclopentanol 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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