DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:16:36 UTC
Update Date	2025-03-25 01:47:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02517764
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₀N₇O₁₇P₃S
Molecular Mass	917.2197
SMILES	CCCC=CC=CC(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)C(=O)O
InChI Key	SHAPDGFLSUUYAW-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	amino acids azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylthioethers heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkyl phosphates monocarboxylic acids and derivatives 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	carboxylic acid amino acid or derivatives monosaccharide imidazopyrimidine medium-chain hydroxy acid saccharide organonitrogen compound organophosphorus compound hydroxy fatty acid organophosphonic acid derivative organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether heteroaromatic compound secondary carboxylic acid amide thioether monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl carbonyl group amino acid fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound medium-chain fatty acid imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle purine 3'-deoxyribonucleoside monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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