DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:04 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160340
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₇ClN₆O₇S
Molecular Mass	484.0568
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(Nc2ncnc3c2ncn3C2CC(O)C(CO)O2)cc1Cl
InChI Key	YVWSQZHMZKUBMO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 2'-deoxyribonucleosides
Direct Parent	purine 2'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids amino acids aminosulfonyl compounds aryl chlorides azacyclic compounds benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives chlorobenzenes halobenzoic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organochlorides organopnictogen compounds organosulfonamides oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary amines tetrahydrofurans vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives organochloride benzoyl monosaccharide imidazopyrimidine saccharide organonitrogen compound 1-carboxy-2-haloaromatic compound purine 2'-deoxyribonucleoside organoheterocyclic compound benzenesulfonyl group aryl chloride chlorobenzene alcohol vinylogous amide halobenzoic acid benzenesulfonamide 4-halobenzoic acid azacycle heteroaromatic compound aryl halide 4-halobenzoic acid or derivatives hydrocarbon derivative halobenzene amine organosulfonic acid or derivatives amino acid organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organosulfonic acid amide organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound benzoic acid primary alcohol imidolactam azole n-substituted imidazole aminosulfonyl compound tetrahydrofuran benzoic acid or derivatives halobenzoic acid or derivatives secondary amine oxacycle monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol benzenoid purine organic nitrogen compound organooxygen compound

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