DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:20 UTC
Update Date	2025-03-25 00:59:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236333
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₃N₃O₂S
Molecular Mass	261.1511
SMILES	CSCCC(CC(N)=O)NC(=O)C(N)C(C)C
InChI Key	BKMUYWSLTLZYQE-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 and derivatives dialkylthioethers hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound sulfenyl compound alpha-amino acid amide dialkylthioether valine or derivatives carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound thioether hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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