| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:38 UTC |
|---|
| Update Date | 2025-03-21 18:35:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106993 |
|---|
| Frequency | 25.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C30H46N4O9S2 |
|---|
| Molecular Mass | 670.2706 |
|---|
| SMILES | CCCCCC=CCC=CC=CC=CC(SCC(NC(C)=O)C(=O)O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O |
|---|
| InChI Key | OCBIZISQRNWBRF-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 | acetamidesacyl glycinesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdithioacetalsglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminen-acylglycinen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic aminethioacetalalpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
|---|
