Structure Database (LMSD)
Common Name
27-Deoxy-5beta-cyprinol
Systematic Name
5β-Cholestane-3α,7α,12α,26-tetrol
Synonyms
- 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane
LM ID
LMST04030014
Formula
Exact Mass
Calculate m/z
436.35526
Sum Composition
Status
Active
3D model of 27-Deoxy-5beta-cyprinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XJZGNVBLVFOSKJ-XZULNKEGSA-N
InChi (Click to copy)
InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Significance of bile alcohol in urine of a patient with cholestasis: identification of 5 beta-cholestane-3 alpha,7 alpha,12 alpha,26,27-pentol ( beta-cyprinol) and 5 beta-cholestane-3 alpha,7 alpha,12 alpha,26-tetrol (27-deoxy-5 beta-cyprinol).,
Chem Pharm Bull (Tokyo), 1984
Chem Pharm Bull (Tokyo), 1984
Pubmed ID:
6499098
Ranidae
(#8397)
Amphibia
(#8292)
Bile salts of frogs: a new higher bile acid, 3 alpha, 7 alpha, 12 alpha, 26-tetrahydroxy-5 beta-cholestanoic acid from the bile Rana plancyi.,
J Lipid Res, 1980
J Lipid Res, 1980
Pubmed ID:
7381321
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
461.38
Topological Polar Surface Area
80.92
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
5.53
Molar Refractivity
125.29
Admin
Created at
-
Updated at
20th Mar 2024