DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:21 UTC
Update Date	2025-03-25 00:50:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179319
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₆O₇S
Molecular Mass	456.1427
SMILES	CSCCNC(=O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	SWXBYRDSKFWUMO-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	alpha amino acids amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides sulfenyl compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide monosaccharide alpha-amino acid or derivatives imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran dialkylthioether purine nucleoside heteroaromatic compound secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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