DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:42 UTC
Update Date	2025-03-21 18:06:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00066210
Frequency	46.1
Structure
Chemical Formula	C₁₁H₁₈N₄O₇S
Molecular Mass	350.0896
SMILES	NC(CCC(=O)NC(CSN=O)C(=O)NCCC(=O)O)C(=O)O
InChI Key	DLNOFADJRYKNJB-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 dicarboxylic acids and derivatives dipeptides fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	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 nitrosothiol organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic s-nitroso compound n-acyl-alpha amino acid or derivatives organic nitroso compound sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives 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 nitrosothiol-group

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