DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:05 UTC
Update Date	2025-03-25 00:52:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196786
Frequency	0.5
Structure
Chemical Formula	C₃₃H₄₉N₃O₁₀S
Molecular Mass	679.3139
SMILES	CCC=CCC=CCC=CCC=CCC=CC(=O)C(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O
InChI Key	WJESCUNJOGQDHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acryloyl compounds acyl glycines alpha amino acid amides alpha amino acids beta-hydroxy ketones carboxylic acids cysteine and derivatives dialkylthioethers enones glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives b'-hydroxy-alpha,beta-unsaturated ketones
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives b'-hydroxy-alpha,beta-unsaturated-ketone fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives alpha,beta-unsaturated ketone organosulfur compound ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives enone alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound thioether cysteine or derivatives secondary alcohol hydrocarbon derivative acryloyl-group primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

Showing information for DMID02196786