DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:58:22 UTC
Update Date	2025-03-25 01:15:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02335409
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₈N₁₀O₁₈P₂S₂
Molecular Mass	928.1282
SMILES	CSCCNc1nc(SCCC(O)(C(=O)O)C(=O)O)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	FFMWAJRKGWRRFI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkylarylthioethers alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tertiary alcohols tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound hydroxy fatty acid organoheterocyclic compound alcohol sulfenyl compound azacycle dialkylthioether heteroaromatic compound organic pyrophosphate secondary aliphatic/aromatic amine thioether monoalkyl phosphate dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate amino acid alpha-hydroxy acid alkylarylthioether organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid secondary amine oxacycle tertiary alcohol thia fatty acid organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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