DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:24 UTC
Update Date	2025-03-25 00:59:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236489
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₁N₅O₅S
Molecular Mass	383.1263
SMILES	CSCCNc1c(C(N)=O)cnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	ALRJCZCWQALDEA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyridines
Subclass	imidazopyridines
Direct Parent	imidazopyridines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines amino acids and derivatives azacyclic compounds carboxylic acids and derivatives dialkylthioethers heteroaromatic compounds hydrocarbon derivatives hydroxypyridines imidazoles methylpyridines monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines primary alcohols primary carboxylic acid amides pyridinecarboxylic acids and derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyridine carboxylic acid or derivatives amino acid or derivatives polyhalopyridine monosaccharide imidazopyridine organosulfur compound carboxylic acid derivative saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound 2-halopyridine primary alcohol azole n-substituted imidazole alcohol vinylogous amide sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound hydroxypyridine methylpyridine secondary amine carboxamide group secondary aliphatic/aromatic amine oxacycle pyridine organic oxygen compound thioether secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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