Structure Database (LMSD)
Common Name
Rhodopinal
Systematic Name
(13Z)-1-Hydroxy-1,2-dihydro-psi,psi-caroten-20-al
Synonyms
3D model of Rhodopinal
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)
GOJQFVQXKNNAAY-XQHLYSSHSA-N
InChi (Click to copy)
InChI=1S/C40H56O2/c1-33(2)18-12-20-35(4)22-14-24-36(5)23-13-21-34(3)19-10-11-29-39(32-41)30-16-27-37(6)25-15-26-38(7)28-17-31-40(8,9)42/h10-11,13-16,18-19,21-27,29-30,32,42H,12,17,20,28,31H2,1-9H3/b11-10+,21-13+,24-14+,25-15+,30-16+,34-19+,35-22+,36-23+,37-27+,38-26+,39-29+
SMILES (Click to copy)
C(/C=O)(\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(O)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/C
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lamprocystis roseopersicina
(#53453)
Gammaproteobacteria
(#1236)
Carotenoids of Thiorhodeceae. 8. Isolation and characterization of a Thiothece, Lamprocystis and Thiodictyon strain and their carotenoid pigments.,
Arch Mikrobiol, 1968
Arch Mikrobiol, 1968
Pubmed ID:
5711189
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
683.82
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
11.60
Molar Refractivity
187.96
Admin
Created at
17th Nov 2021
Updated at
25th Nov 2021