Structure Database (LMSD)
Common Name
(24Z),26-hydroxydesmosterol
Systematic Name
cholest-5,24Z-dien-3β,26-diol
Synonyms
LM ID
LMST01010386
Formula
Exact Mass
Calculate m/z
400.33413
Sum Composition
Status
Active
3D model of (24Z),26-hydroxydesmosterol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Analysis of bioactive oxysterols in newborn mouse brain by LC/MS.,
J Lipid Res, 2012
J Lipid Res, 2012
Pubmed ID:
22891291
DOI:
10.1194/jlr.D028233
String Representations
InChiKey (Click to copy)
CLACDUUQGFRYIM-QHYPZIEJSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h6,8,19,21-25,28-29H,5,7,9-17H2,1-4H3/b18-6-/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC/C=C(\CO)/C)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
438.52
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
6.85
Molar Refractivity
121.44
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Created at
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Updated at
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