DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:12 UTC
Update Date	2025-03-21 18:05:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055517
Frequency	57.7
Structure
Chemical Formula	C₁₆H₂₄N₄O₁₁S₂
Molecular Mass	512.0883
SMILES	NC(CCC(=O)NC(CSSCC(C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O)C(=O)O
InChI Key	GZIHOWPJIOVFSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acyl glycines alpha amino acids carboxylic acids cysteine and derivatives dialkyldisulfides dipeptides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tetracarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid tetracarboxylic acid or derivatives carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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