DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:47 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168817
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₂N₆O₇S
Molecular Mass	500.2053
SMILES	CC(C)CC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	ZZPHCZDVIAKYJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty amides heterocyclic fatty acids hydrocarbon derivatives imidazolidinones leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds peptides 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 alpha peptide aliphatic heteropolycyclic compound imidazolidinone organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide 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-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound organooxygen compound

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