Structure Database (LMSD)
Common Name
11Z-6s-trans-fixed bicyclic retinal
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 11Z-6s-trans-fixed bicyclic retinal
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)
Retinoids and related compounds. Part 15. Synthesis and spectral characterization of bicyclic retinals involving the 8–18 or 8–16 bonded structure,
J. Chem. Soc., Perkin Trans, 1993
J. Chem. Soc., Perkin Trans, 1993
DOI:
10.1039/P19930002185
String Representations
InChiKey (Click to copy)
JZVQPHGYTPIYGJ-XMTSQJESSA-N
InChi (Click to copy)
InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-19-17(3)9-6-11-20(19,4)14-18/h5,7-8,10,12-13H,6,9,11,14H2,1-4H3/b7-5-,15-10+,16-8+
SMILES (Click to copy)
C1C(C)=C2C=C(CC2(C)CC1)/C(=C/C=C\C(\C)=C\C=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
2
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
322.79
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.47
Molar Refractivity
90.08
Admin
Created at
-
Updated at
30th Jun 2021