DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:34 UTC
Update Date	2025-03-25 00:58:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230006
Frequency	0.5
Structure
Chemical Formula	C₃₁H₅₀N₄O₈S
Molecular Mass	638.3349
SMILES	CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCCC(N)=O)C(O)CCCC(=O)O
InChI Key	YXRQOKLRGNVPTK-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 cysteine and derivatives dialkylthioethers dicarboxylic acids and derivatives dipeptides glutamine and derivatives hydrocarbon derivatives hydroxy fatty acids long-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary alcohols secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine beta amino acid or derivatives n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether cysteine or derivatives secondary alcohol dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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