Structure Database (LMSD)
Common Name
Spheroidene
Systematic Name
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FJOCMTHZSURUFA-AXYGSFPTSA-N
InChi (Click to copy)
InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
SMILES (Click to copy)
C(/CC(C)(C)OC)=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\CC/C=C(/CC/C=C(\C)/C)\C)/C)\C)\C)\C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cereibacter sphaeroides
(#1063)
Alphaproteobacteria
(#28211)
Purification and biochemical characterization of a hydroxyneurosporene desaturase involved in the biosynthetic pathway of the carotenoid spheroidene in Rhodobacter sphaeroides.,
J Bacteriol, 1997
J Bacteriol, 1997
Pubmed ID:
9393712
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
694.97
Topological Polar Surface Area
9.23
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
13.07
Molar Refractivity
192.36
Admin
Created at
-
Updated at
24th Nov 2021