Structure Database (LMSD)
Common Name
Demethylspheroidene
Systematic Name
3,4-Didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene-1-ol
Synonyms
- Demethylated spheroidene
3D model of Demethylspheroidene
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)
IKOGZSUEGBDVQU-XZXJNJSQSA-N
InChi (Click to copy)
InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
SMILES (Click to copy)
C(/CC(O)(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(/CC/C=C(\C)/C)\C)/C)\C)\C)\C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Roseinatronobacter bogoriensis
(#119542)
Alphaproteobacteria
(#28211)
Accumulation of unusual carotenoids in the spheroidene pathway, demethylspheroidene and demethylspheroidenone, in an alkaliphilic purple nonsulfur bacterium Rhodobaca bogoriensis.,
Photosynth Res, 2001
Photosynth Res, 2001
Pubmed ID:
16228308
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
677.67
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
12.42
Molar Refractivity
187.57
Admin
Created at
-
Updated at
10th Oct 2022