DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:36 UTC
Update Date	2025-03-25 00:51:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184366
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₂N₆O₈S₃
Molecular Mass	580.1444
SMILES	NC(CSSCC(NC(=O)CCCCC1SCC2NC(=O)NC21)C(=O)NCC(=O)O)C(=O)NCC(=O)O
InChI Key	URCHEYOVGKOGSQ-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	acyl glycines
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds biotin and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dialkylthioethers dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives imidazolidinones monoalkylamines n-acyl amines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine fatty acyl carbonyl group carboxylic acid fatty amide thiophene organosulfur compound alpha peptide aliphatic heteropolycyclic compound imidazolidinone organic oxide biotin_derivative organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound carbonic acid derivative sulfenyl compound alpha-amino acid amide azacycle dialkylthioether thienoimidazolidine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound thioether organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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