Structure Database (LMSD)
Common Name
22:4 Cholesterol(d7)
Systematic Name
cholest-5-en-3β-yl(d7) (7Z,10Z,13Z,16Z-docosatetraenoate)
Synonyms
- 25,26,26,26,27,27,27-heptadeuteriocholest-5-en-3beta-ol (7Z,10Z,13Z,16Z-docosatetraenoate)
- cholesteryl-d7 7Z,10Z,13Z,16Z-docosatetraenoate
3D model of 22:4 Cholesterol(d7)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
ITGTXSFLBABXQA-DDDMWDGUSA-N
InChi (Click to copy)
InChI=1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1/i2D3,3D3,39D
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H])CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
4
Aromatic Rings
Rotatable Bonds
23
Van der Waals Molecular Volume
808.56
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
15.15
Molar Refractivity
221.08
Admin
Created at
26th Mar 2025
Updated at
26th Mar 2025