DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:51 UTC
Update Date	2025-03-21 18:33:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097722
Frequency	28.2
Structure
Chemical Formula	C₁₈H₂₅N₃O₆S
Molecular Mass	411.1464
SMILES	CSCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(=O)O
InChI Key	LIQNMKIBMPEOOP-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 aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives methionine and derivatives monoalkylamines 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 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 thia fatty acid phenylalanine or derivatives organic oxygen compound thioether methionine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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