Structure Database (LMSD)
Common Name
(15Z)-Spirilloxanthin
Systematic Name
(15Z)-1,1'-Dimethoxy-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-psi,psi-carotene
Synonyms
3D model of (15Z)-Spirilloxanthin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Comments
Imported from http://carotenoiddb.jp/
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rhodospirillum rubrum
(#1085)
Alphaproteobacteria
(#28211)
CONFIGURATIONS OF CAROTENOIDS IN THE REACTION CENTER and THE LIGHT-HARVESTING COMPLEX OF Rhodospirillum rubrum. NATURAL SELECTION OF CAROTENOID CONFIGURATIONS BY PIGMENT PROTEIN COMPLEXES,
Photochem Photobiol, 1990
Photochem Photobiol, 1990
String Representations
InChiKey (Click to copy)
VAZQBTJCYODOSV-RISZBRKMSA-N
InChi (Click to copy)
InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
SMILES (Click to copy)
C(/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(OC)(C)C)=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(OC)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
Aromatic Rings
Rotatable Bonds
18
Van der Waals Molecular Volume
718.42
Topological Polar Surface Area
18.46
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
12.76
Molar Refractivity
198.96
Admin
Created at
17th Nov 2021
Updated at
22nd Nov 2021