DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:53 UTC
Update Date	2025-03-25 00:57:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226355
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₂N₄O₆S
Molecular Mass	444.2043
SMILES	CC(O)C(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	FECBIOBOYTVVGW-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	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazolidinones medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives thiophene carboxylic acid derivative medium-chain hydroxy acid aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol carbonic acid derivative azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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