DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:23:24 UTC
Update Date	2025-03-25 00:40:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02117417
Frequency	0.6
Structure
Chemical Formula	C₃₈H₅₉N₅O₁₃S₃
Molecular Mass	889.3272
SMILES	CCCCCC=CCC=CC=CC=CC(SCCNC(=O)C(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O
InChI Key	HEEZCAXFGPHKBH-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	1,3-dicarbonyl compounds acyl glycines alpha amino acid amides alpha amino acids carboxylic acids cysteine and derivatives dialkyldisulfides dialkylthioethers glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides sulfenyl compounds tetracarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group 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 n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether tetracarboxylic acid or derivatives carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound thioether organic disulfide cysteine or derivatives secondary alcohol hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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