DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:48 UTC
Update Date	2025-03-21 18:41:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133613
Frequency	18.9
Structure
Chemical Formula	C₂₀H₃₂N₆O₁₂S₂
Molecular Mass	612.152
SMILES	NC(O)C(=O)CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O
InChI Key	QJNSNYNCBXQLQW-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 acyclic compounds
Alternative Parents	acyl glycines alkanolamines alpha amino acid amides alpha amino acids alpha-hydroxy ketones carboxylic acids cysteine and derivatives delta amino acids and derivatives dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound alpha-hydroxy ketone ketone saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives alkanolamine n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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