DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:21 UTC
Update Date	2025-03-25 00:57:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02222994
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₄O₈S₂
Molecular Mass	426.0879
SMILES	NC(CSSCC(NC(=O)CCNC(=O)C(N)CC(=O)O)C(=O)O)C(=O)O
InChI Key	MIUKNAIPRAVZAS-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	alpha amino acid amides alpha amino acids aspartic acid and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids 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 fatty amide tricarboxylic acid or derivatives 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 alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives aspartic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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