DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:06 UTC
Update Date	2025-03-25 00:54:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206044
Frequency	0.5
Structure
Chemical Formula	C₈H₁₃N₃O₆S
Molecular Mass	279.0525
SMILES	NC(=O)NC(CC(=O)NC(CS)C(=O)O)C(=O)O
InChI Key	WFSOBCWXKRTDED-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	alkylthiols alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives carbonic acid derivative n-acyl-alpha-amino acid n-carbamoyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative organic nitrogen compound alkylthiol organooxygen compound

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