DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:30 UTC
Update Date	2025-03-21 18:33:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00096827
Frequency	28.5
Structure
Chemical Formula	C₁₅H₂₈N₄O₅S
Molecular Mass	376.178
SMILES	CSCCC(NC(=O)C(NC(=O)C(N)CCC(N)=O)C(C)C)C(=O)O
InChI Key	GJLXZITZLUUXMJ-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 branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers glutamine and derivatives hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives 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 thia fatty acids valine and derivatives
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 alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether valine or derivatives carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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