DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:15 UTC
Update Date	2025-03-25 00:47:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163030
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₃O₇S₂
Molecular Mass	409.0977
SMILES	O=C(CCCCC1SCC2NC(=O)NC21)NCCCC(=O)OS(=O)(=O)O
InChI Key	KZRZZTNEMYQZAT-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	azacyclic compounds carbonyl compounds dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives imidazolidinones monocarboxylic acids and derivatives n-acyl amines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfuric acid monoesters thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl sulfuric acid monoester 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 carbonic acid derivative organic sulfuric acid or derivatives azacycle dialkylthioether thienoimidazolidine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound sulfuric acid ester organooxygen compound

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