Structure Database (LMSD)
Common Name
(13Z)-Chlorobactene
Systematic Name
(13Z)-phi,psi-Carotene
Synonyms
3D model of (13Z)-Chlorobactene
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)
VJASLAGEYVTOGS-HQYBGHQXSA-N
InChi (Click to copy)
InChI=1S/C40H52/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-30-40-38(9)29-28-37(8)39(40)10/h11-12,14-19,21-30H,13,20H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,30-27+,32-18+,33-19-,34-23+,35-24+,36-26+
SMILES (Click to copy)
C1(C)=C(C)C(/C=C/C(/C)=C/C=C/C(/C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/C)=C(C)C=C1
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Chlorobaculum tepidum
(#1097)
Chlorobia
(#191410)
15-Cis-carotenoids found in the reaction center of a green sulfur bacterium Chlorobium tepidum and in the Photosystem I reaction center of a cyanobacterium Synechococcus vulcanus,
Photosynth Res, 1998
Photosynth Res, 1998
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
640.34
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
12.33
Molar Refractivity
183.70
Admin
Created at
17th Nov 2021
Updated at
1st Dec 2021