DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:07 UTC
Update Date	2025-03-25 00:54:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206063
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₅N₅O₇S₂
Molecular Mass	439.1195
SMILES	NC(=O)CCNC(=O)C(N)CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	QJAYXLUFZRYOMJ-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 beta amino acids and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides dicarboxylic acids and derivatives dipeptides fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid 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 alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02206063