Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-10-03 18:38:53 UTC |
---|
Update Date | 2020-05-21 16:28:47 UTC |
---|
BMDB ID | BMDB0012455 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane |
---|
Description | 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane, also known as (25R)-5beta-cholestane-3alpha,7alpha,26-triol or (3alpha,5beta,7alpha)-cholestane-3,7,26-triol, belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. 3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane is an extremely weak basic (essentially neutral) compound (based on its pKa). |
---|
Structure | |
---|
Synonyms | Value | Source |
---|
3 a,7 a,26-Trihydroxy-5b-cholestane | Generator | 3 Α,7 α,26-trihydroxy-5β-cholestane | Generator | (25R)-5beta-Cholestane-3alpha,7alpha,26-triol | HMDB | (3alpha,5beta,7alpha)-Cholestane-3,7,26-triol | HMDB | 3alpha,7alpha,26-Trihydroxy-5beta-cholestane | HMDB | 5 beta-Cholestane-3 alpha,7 alpha,26-triol | HMDB | 5beta-Cholestan-3alpha,7alpha,26-triol | HMDB | 5beta-Cholestane-3alpha,7alpha,26-triol | HMDB | Cholestane-3,7,26-triol | HMDB |
|
---|
Chemical Formula | C27H48O3 |
---|
Average Molecular Weight | 420.6682 |
---|
Monoisotopic Molecular Weight | 420.360345402 |
---|
IUPAC Name | Not Available |
---|
Traditional Name | Not Available |
---|
CAS Registry Number | 15313-69-6 |
---|
SMILES | Not Available |
---|
InChI Identifier | InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19?,20-,21?,22?,23?,24-,25?,26+,27-/m1/s1 |
---|
InChI Key | OQIJRBFRXGIHMI-KZQGXEQDSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. |
---|
Kingdom | Organic compounds |
---|
Super Class | Lipids and lipid-like molecules |
---|
Class | Steroids and steroid derivatives |
---|
Sub Class | Bile acids, alcohols and derivatives |
---|
Direct Parent | Trihydroxy bile acids, alcohols and derivatives |
---|
Alternative Parents | |
---|
Substituents | - 26-hydroxysteroid
- Trihydroxy bile acid, alcohol, or derivatives
- 3-hydroxysteroid
- Hydroxysteroid
- 7-hydroxysteroid
- 3-alpha-hydroxysteroid
- Fatty alcohol
- Fatty acyl
- Cyclic alcohol
- Secondary alcohol
- Primary alcohol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
|
---|
Molecular Framework | Aliphatic homopolycyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Status | Expected but not Quantified |
---|
Origin | |
---|
Biofunction | Not Available |
---|
Application | Not Available |
---|
Cellular locations | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | Property | Value | Reference |
---|
Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Predicted Properties | Not Available |
---|
Spectra |
---|
Spectra | |
---|