DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 04:49:03 UTC
Update Date	2025-03-24 14:03:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00744364
Frequency	2.1
Structure
Chemical Formula	C₃₁H₅₂N₇O₁₅P₃S
Molecular Mass	887.2455
SMILES	CCCC=CC=CC(C)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O[PH](=O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	KBMBKDFDHPWYRF-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 carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams 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 pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group amino acid or derivatives fatty amide monosaccharide imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle secondary carboxylic acid amide purine 3'-deoxyribonucleoside organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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