DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:36 UTC
Update Date	2025-03-25 00:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221250
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₅O₁₀S
Molecular Mass	447.0696
SMILES	O=C(O)CC(NS(=O)(=O)c1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	UCXZPNRRWDITTE-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 aminosulfonyl compounds aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds organosulfonamides oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine organosulfur compound carboxylic acid derivative pyrimidine organosulfonic acid amide saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol azacycle aminosulfonyl compound tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle sulfonyl organic oxygen compound organic sulfonic acid or derivatives aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative purine organic nitrogen compound organooxygen compound

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