DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:07 UTC
Update Date	2025-03-25 00:56:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220157
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₂O₃S
Molecular Mass	324.1508
SMILES	CSCCC(CCC(=O)O)NC(=O)C(N)Cc1ccccc1
InChI Key	IRMSFFSBZIOXIS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids dialkylthioethers fatty amides gamma amino acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid amphetamine or derivatives sulfenyl compound alpha-amino acid amide dialkylthioether carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound thioether hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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