| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:01 UTC |
|---|
| Update Date | 2025-03-21 18:00:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00026704 |
|---|
| Frequency | 142.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C44H73NO5 |
|---|
| Molecular Mass | 695.5489 |
|---|
| SMILES | CCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(=O)NCC(=O)O)CCC32)C1 |
|---|
| InChI Key | KRMKWUNRWJUVAO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | steroids and steroid derivatives |
|---|
| Subclass | bile acids, alcohols and derivatives |
|---|
| Direct Parent | bile acids, alcohols and derivatives |
|---|
| Geometric Descriptor | aliphatic homopolycyclic compounds |
|---|
| Alternative Parents | acyl glycinesalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta-5-steroidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessteroid esters |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesdelta-5-steroidn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminen-acylglycinesteroid estersecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
