DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:37 UTC
Update Date	2025-03-25 00:56:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216604
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₃O₂S
Molecular Mass	239.0728
SMILES	CCC1C(=O)NC(Cc2c[nH]c(=S)[nH]2)C1=O
InChI Key	YDWZIDSOBCOJEJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azolines
Subclass	imidazolines
Direct Parent	imidazolethiones
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds azacyclic compounds carboxylic acids and derivatives cyclic ketones heteroaromatic compounds hydrocarbon derivatives imidazoles lactams organic oxides organonitrogen compounds organopnictogen compounds pyrrolidine-2-ones pyrrolidine-3-ones secondary carboxylic acid amides thioureas
Substituents	2-pyrrolidone carbonyl group thiourea lactam aromatic heteromonocyclic compound 3-pyrrolidone imidazole-2-thione cyclic ketone organosulfur compound carboxylic acid derivative ketone organic oxide imidazole organonitrogen compound organopnictogen compound pyrrolidine pyrrolidone azole azacycle heteroaromatic compound carboxamide group secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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