Structure Database (LMSD)
Common Name
Salinixanthin
Systematic Name
(2'S)-1'-[6-O-(13-Methyltetradecanoyl)-β-D-glycopyranosyloxy]-2'-hydroxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one
Synonyms
- 1',2'-Dihydro-1',2'-dihydroxy-4-ketotorulene 1'-glucoside ester
3D model of Salinixanthin
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Salinibacter ruber
(#146919)
Rhodothermia
(#1853222)
New C(40)-carotenoid acyl glycoside as principal carotenoid in Salinibacter ruber, an extremely halophilic eubacterium.,
J Nat Prod, 2002
J Nat Prod, 2002
Pubmed ID:
12350161
String Representations
InChiKey (Click to copy)
BUNXUZXQWPTVHM-HCSLVYINSA-N
InChi (Click to copy)
InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54+,56-,57+,58-,59+/m1/s1
SMILES (Click to copy)
C1(=C(C)C(=O)CCC1(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/[C@H](O)C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCC(C)C)O1)(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
70
Rings
2
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
1081.29
Topological Polar Surface Area
144.82
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
9
logP
15.50
Molar Refractivity
292.86
Admin
Created at
-
Updated at
5th Mar 2021