Structure Database (LMSD)
Common Name
24,25-epoxy-cholesterol
Systematic Name
24S,25-epoxy-cholest-5-en-3β-ol
Synonyms
- 24S,25-epoxy-cholesterol
LM ID
LMST01010012
Formula
Exact Mass
Calculate m/z
400.33413
Sum Composition
Status
Active
3D model of 24,25-epoxy-cholesterol
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)
OSENKJZWYQXHBN-XVYZBDJZSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,22+,23+,24+,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@@H]3O[C@@]3(C)C)CC[C@@]21[H])[H]
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Mus musculus
(#10090)
Mammalia
(#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20574076
DOI:
10.1194/jlr.M008748
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
5
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
428.80
Topological Polar Surface Area
32.76
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.38
Molar Refractivity
120.09
Admin
Created at
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Updated at
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