DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:14 UTC
Update Date	2025-03-25 00:54:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208685
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₃O₇S
Molecular Mass	335.0787
SMILES	CC(=O)SCC(NC(=O)CC(N)C(=O)O)C(=O)NCC(=O)O
InChI Key	AVDPVSWXLKUBIY-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	acyl glycines alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carbothioic s-esters carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives dipeptides fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thioesters thiolactones
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative carbothioic s-ester organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives thiolactone n-acyl-alpha amino acid or derivatives thiocarboxylic acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid thiocarboxylic acid ester carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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