DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:42 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223807
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₆N₆O₈S
Molecular Mass	544.2315
SMILES	NC(CCC(=O)NC(CCCNC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NCC(=O)O)C(=O)O
InChI Key	WUVAQQLRXLURGH-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	oligopeptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides 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 monoalkylamines n-acyl amines 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 organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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