DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:11 UTC
Update Date	2025-03-21 18:05:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055482
Frequency	57.7
Structure
Chemical Formula	C₁₁H₂₂N₂O₃S
Molecular Mass	262.1351
SMILES	CSCCC(NC(=O)CC(N)C(C)C)C(=O)O
InChI Key	VJYXIDPEZYWREY-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 acids beta amino acids and derivatives branched fatty acids carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
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 organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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