DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:28 UTC
Update Date	2025-03-25 00:45:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149886
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₄O₇S
Molecular Mass	378.1209
SMILES	CSCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CC(N)=O)C(=O)O
InChI Key	VMVUDJUXJKDGNR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives aspartic acid and derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives methionine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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