DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:59 UTC
Update Date	2025-03-21 18:38:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122352
Frequency	21.1
Structure
Chemical Formula	C₂₁H₃₅N₅O₇S
Molecular Mass	501.2257
SMILES	NC(CCC(=O)NC(CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O)C(=O)O
InChI Key	FOODOTGJCLPANV-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	dipeptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds biotin and derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives imidazolidinones medium-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids 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 carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives thiophene aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound thioether dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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