DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:09 UTC
Update Date	2025-03-25 00:53:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199298
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₄O₂S
Molecular Mass	286.1463
SMILES	NC(=O)CCC(N)CCCC1SCC2NC(=O)NC21
InChI Key	OFKAGUWZULQOPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers fatty amides hydrocarbon derivatives imidazolidinones monoalkylamines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine primary carboxylic acid amide fatty acyl carbonyl group gamma amino acid or derivatives fatty amide thiophene aliphatic heteropolycyclic compound imidazolidinone organic oxide organonitrogen compound organopnictogen compound organoheterocyclic compound carbonic acid derivative azacycle dialkylthioether thienoimidazolidine carboxamide group organic oxygen compound thioether hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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