DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153262
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₅N₅O₆S
Molecular Mass	485.2308
SMILES	NC(=O)CCC(NC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	NGASEPXTMKFWRC-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 glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives imidazolidinones monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives thiophene carboxylic acid derivative aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives 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 hydrocarbon derivative organic nitrogen compound organooxygen compound

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