DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:56 UTC
Update Date	2025-03-21 18:30:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00083629
Frequency	41.0
Structure
Chemical Formula	C₂₀H₃₁N₃O₄S
Molecular Mass	409.2035
SMILES	CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(C)C)C(=O)O
InChI Key	WXDRGWBQZIMJDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers hydrocarbon derivatives leucine and derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides phenylalanine and derivatives secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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