DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:11 UTC
Update Date	2025-03-25 00:52:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194752
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₆O₆S
Molecular Mass	402.1322
SMILES	CCN(CCS(=O)(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	DJZJREKJQZHLFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds organosulfonic acids oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfonyls tetrahydrofurans trialkylamines
Substituents	organosulfonic acid or derivatives organosulfonic acid monosaccharide imidazopyrimidine organosulfur compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam tertiary amine organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol 5'-deoxyribonucleoside azacycle tetrahydrofuran heteroaromatic compound tertiary aliphatic amine oxacycle sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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