DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:48 UTC
Update Date	2025-03-25 01:00:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241948
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₉N₅O₅S
Molecular Mass	485.2672
SMILES	CC(C)CC(NC(=O)C(N)CCCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	NFJGCMKYHCKRJG-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 acid amides alpha amino acids azacyclic compounds biotin and derivatives carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives imidazolidinones leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives 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 heterocyclic fatty acid fatty amide fatty acid alpha-amino acid or derivatives thiophene aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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