DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:45 UTC
Update Date	2025-03-25 00:56:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216945
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₃S
Molecular Mass	248.1195
SMILES	CSCCC(CC(=O)O)NC(=O)CCCN
InChI Key	OJZSXPXHXVIFFP-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	beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylthioethers fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound sulfenyl compound dialkylthioether carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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