DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:53 UTC
Update Date	2025-03-25 01:02:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253651
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₈N₄O₄S
Molecular Mass	372.1831
SMILES	O=C(CCCNC(=O)CCCCC1SCC2NC(=O)NC21)NCCO
InChI Key	AEDBUODGBKDWHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	biotin and derivatives
Subclass	biotin and derivatives
Direct Parent	biotin and derivatives
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alcohols and polyols alkanolamines azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives imidazolidinones n-acyl amines n-acylethanolamines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group gamma amino acid or derivatives fatty amide thiophene carboxylic acid derivative aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound organopnictogen compound alkanolamine alcohol carbonic acid derivative azacycle dialkylthioether thienoimidazolidine carboxamide group n-acylethanolamine n-acyl-amine secondary carboxylic acid amide organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound organooxygen compound

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