| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:39:31 UTC |
|---|
| Update Date | 2025-03-21 17:58:26 UTC |
|---|
| HMDB ID | HMDB0002579 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00014333 |
|---|
| Name | Glycochenodeoxycholic acid 3-glucuronide |
|---|
| Frequency | 308.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C32H51NO11 |
|---|
| Molecular Mass | 625.3462 |
|---|
| SMILES | CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(OC5OC(C(=O)O)C(O)C(O)C5O)CCC4(C)C3CCC12C |
|---|
| InChI Key | ABFZMYIIUREPLL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | steroids and steroid derivatives |
|---|
| Subclass | steroidal glycosides |
|---|
| Direct Parent | steroid glucuronide conjugates |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 7-hydroxysteroidsacetalsacyl glycinesalpha amino acidsbeta hydroxy acids and derivativesbile acids, alcohols and derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesn-acyl amineso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidglucuronic acid or derivativesfatty amideo-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativebile acid, alcohol, or derivativespyran carboxylic acid1-o-glucuronidealiphatic heteropolycyclic compoundbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidhydroxysteroidhydroxy acidcyclic alcoholcarboxamide group7-hydroxysteroidn-acyl-aminen-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativessteroid-glucuronide-skeletonhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
